Nitrosaminas
ANVISA lists this substance among materials that may not be used in personal-hygiene products, cosmetics or perfumes in Brazil.
Regulatory decision and full conditions
- Status
- Prohibited
- Legal role
- Binding rule
- Regulatory summary
- ANVISA lists this substance among materials that may not be used in personal-hygiene products, cosmetics or perfumes in Brazil.
- Conditions and restrictions
- Nitrosaminas
Substance identity
- Official source name
- Nitrosaminas
- CAS
- 64091-91-4; 35576-91-1; 930-55-2; 100-75-4; 10595-95-6; 59-89-2; 621-64-7; 924-16-3; 55-18-5; 1116-54-7; 62-75-9
- EC
- 213-218-8; 202-886-6; 210-698-0; 213-101-1; 200-226-1; 214-237-4; 200-549-8
- Identity mapping
- standalone:official_anvisa_record
Cross-market snapshot for this identity
Exact linked records currently present in this site. An absent market means no imported exact match, not permission to use the substance.
European Union
2 linked records
Open supporting recordGreat Britain
2 linked records
Open supporting recordCanada
1 linked record · 1 with specific conditions
Open supporting recordNew Zealand
3 linked records
Open supporting recordASEAN
3 linked records
Open supporting recordChina
1 linked record · 1 with specific conditions
Open supporting recordSouth Korea
1 linked record · 1 with specific conditions
Open supporting recordBrazil
Current record4 linked records · 4 with specific conditions
Open supporting recordIndia
1 linked record · 1 with specific conditions
Open supporting recordSaudi Arabia
2 linked records
Open supporting recordVerified chemistry for CAS 100-75-4
N-Nitrosopiperidine
- IUPAC name
- 1-nitrosopiperidine
- Molecular formula
- C5H10N2O
- Molecular weight
- 114.15 g/mol
- Exact mass
- 114.079312947 Da
- Monoisotopic mass
- 114.079312947 Da
- XLogP3
- 0.4
- Topological polar surface area
- 32.7 Ų
- Molecular complexity
- 78.0
- Formal charge
- 0
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Covalent units
- 1
Names and synonyms reported to PubChem
16 more reported names
External database identifiers
- ChEBI:CHEBI:76324
- ChEMBL:CHEMBL165244
- EPA DTXSID:DTXSID8021060
- PubMed:22967534
- PubMed:22352424
- PubMed:22108029
- PubMed:22084566
- PubMed:21946166
- PubMed:21860515
- PubMed:21819861
- PubMed:21376329
- PubMed:21105252
- PubMed:20816717
- PubMed:20651851
- PubMed:20637784
Advanced structure statistics
- Defined atom stereocentres
- 0
- Undefined atom stereocentres
- 0
- Defined bond stereocentres
- 0
- Undefined bond stereocentres
- 0
- 3D pharmacophore features
- 1
- 3D rings
- 1
- 3D hydrophobes
- 0
- 3D acceptor features
- 0
- 3D donor features
- 0
- 3D anionic centres
- 0
- 3D cationic centres
- 0
- 3D conformers
- 10
- Effective 3D rotors
- 2.2
Machine-readable structure identifiers
- SMILES
C1CCN(CC1)N=O- InChI
InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2- InChIKey
UWSDONTXWQOZFN-UHFFFAOYSA-N
Evidence from additional scientific databases
EMBL-EBI ChEBI
N-nitrosopiperidine
A nitrosamine that is piperidine in which the hydrogen attached to the nitrogen is replaced by a nitroso group. One of the many carcinogens detected in cigarette smoke, it is found in meat, cheese and spices that have been treated with the preservative sodium nitrite.
- Formula
- C5H10N2O
- Average mass
- 114.148 g/mol
- Monoisotopic mass
- 114.07931 Da
- Formal charge
- 0
- nitrosamine — is a (CHEBI:35803)
- piperidine — is a (CHEBI:18049)
- carcinogenic agent — has role (CHEBI:50903)
- apoptosis inducer — has role (CHEBI:68495)
- mutagen — has role (CHEBI:25435)
- environmental contaminant — has role (CHEBI:78298)
- carcinogenic agent — has role (CHEBI:50903)
- apoptosis inducer — has role (CHEBI:68495)
- mutagen — has role (CHEBI:25435)
- environmental contaminant — has role (CHEBI:78298)
- nitrosamine — is a (CHEBI:35803)
- piperidine — is a (CHEBI:18049)
Additional curated names
Cross-references from this source
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2014-07-28. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 423 °F at 721 mmHg (NTP, 1992) Source: CAMEO Chemicals
- Boiling Point: 219 °C Source: Hazardous Substances Data Bank (HSDB)
- Boiling Point: BP: 109 °C at 20 mm Hg Source: Hazardous Substances Data Bank (HSDB)
- Boiling Point: 423 °F at 721 mmHg Source: Occupational Safety and Health Administration (OSHA)
- Color/Form: Yellow oil Source: Hazardous Substances Data Bank (HSDB)
- Color/Form: Pale yellow Source: Hazardous Substances Data Bank (HSDB)
- Density: 1.0631 at 65.3 °F (NTP, 1992) - Denser than water; will sink Source: CAMEO Chemicals
- Density: 1.0631 g/cu cm at 18.5 °C Source: Hazardous Substances Data Bank (HSDB)
- Density: 1.0631 at 65.3 °F Source: Occupational Safety and Health Administration (OSHA)
- LogP: log Kow = 0.36 Source: Hazardous Substances Data Bank (HSDB)
- Physical Description: N-nitrosopiperidine appears as light yellow oil or liquid. May be a carcinogen. Source: CAMEO Chemicals
- Physical Description: Yellow liquid; [HSDB] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Physical Description: Light yellow oil or liquid. Source: Occupational Safety and Health Administration (OSHA)
- Refractive Index: Index of refraction: 1.4933 at 18 °C/D Source: Hazardous Substances Data Bank (HSDB)
- Solubility: 10 to 50 mg/mL at 72 °F (NTP, 1992) Source: CAMEO Chemicals
- Solubility: Soluble in water (7.7%) and in organic solvents and lipids Source: Hazardous Substances Data Bank (HSDB)
- Solubility: Soluble in hydrochloric acid Source: Hazardous Substances Data Bank (HSDB)
- Solubility: In water, 7.65X10+4 mg/L at 24 °C Source: Hazardous Substances Data Bank (HSDB)
- Vapor Pressure: 0.09 [mmHg] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Vapor Pressure: 9.20X10-2 mm Hg at 20 °C Source: Hazardous Substances Data Bank (HSDB)
- IARC Carcinogenic Agent: N-Nitrosopiperidine Source: International Agency for Research on Cancer (IARC)
- IARC Carcinogenic Classes: Group 2B: Possibly carcinogenic to humans Source: International Agency for Research on Cancer (IARC)
- IARC Monographs: Volume 17: (1978) Some N-Nitroso Compounds; Volume Sup 7: Overall Evaluations of Carcinogenicity: An Updating of IARC Monographs Volumes 1 to 42, 1987; 440 pages; ISBN 92-832-1411-0 (out of print) Source: International Agency for Research on Cancer (IARC)
- Publication Year: 1987 Source: International Agency for Research on Cancer (IARC)
- Evaluation Year: 1987 Source: International Agency for Research on Cancer (IARC)
- First Aid: EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.; SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. IMMEDIATELY call a hospital or poison control center even if no symptoms (such as redness or irritation) develop. IMMEDIATELY transport the victim to a hospital for treatment after washing the affected areas.; INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. IMMEDIATELY call a physician and be prepared to transport the victim to a hospital even if no symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop. Provide proper respiratory protection to rescuers entering an unknow Source: CAMEO Chemicals
- Note: This chemical does not meet GHS hazard criteria for 2% (1 of 51) of reports. Source: European Chemicals Agency (ECHA)
- Signal: Danger Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H301 (98%): Toxic if swallowed [Danger Acute toxicity, oral]; H351 (92.2%): Suspected of causing cancer [Warning Carcinogenicity] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 51 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Reported as not meeting GHS hazard criteria per 1 of 51 reports by companies.; There are 4 notifications provided by 50 of 51 reports by companies with hazard statement code(s).; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
- Signal: Danger Source: NITE-CMC
- GHS Hazard Statements: H350: May cause cancer [Danger Carcinogenicity] Source: NITE-CMC
- Precautionary Statement Codes: P203, P280, P318, P405, and P501 (click each P-code to see the statement) Source: NITE-CMC
- GHS Hazard Statements: H301: Toxic if swallowed [Danger Acute toxicity, oral]; H351: Suspected of causing cancer [Warning Carcinogenicity] Source: NITE-CMC
- Precautionary Statement Codes: P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement) Source: NITE-CMC
- Environmental Bioconcentration: An estimated BCF of 3 was calculated in fish for N-nitrosopiperidine(SRC), using a log Kow of 0.36(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 170(SRC), determined from a structure estimation method(2), indicates that N-nitrosopiperidine is expected to have moderate mobility in soil(SRC). Volatilization of N-nitrosopiperidine from moist soil surfaces is not expected to be an important fate process(SRC) given a Henry's Law constant of 8.44X10-7 atm-cu m/mole(3). N-Nitrosopiperidine is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 9.20X10-2 mm Hg at 20 °C(4). A 33% biodegradation in 30 days(5) suggests that biodegradation is not an important environmental fate process in soil(SRC). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 170(SRC), determined from a structure estimation method(2), indicates that N-nitrosopiperidine is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon a Henry's Law constant of 8.44X10-7 atm-cu m/mole(4). According to a classification scheme(5), an estimated BCF of 3(SRC), from its log Kow of 0.36(6) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Under conditions simulating Southern California midsummer, midday sun, N-nitrosopiperidine exhibited an aqueous photolysis half-life of 12 minutes(7). A 33% biodegradation in 30 days(8) suggests that biodegradation is not an important environmental fate process in water(SRC). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), N-nitrosopiperidine, which has a vapor pressure of 9.20X10-2 mm Hg at 20 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase N-nitrosopiperidine is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 5 hours(SRC), calculated from its rate constant of 2.6X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). N-Nitrosopiperidine has a UV absorption maximum of 337 nm in water(4), and therefore may be susceptible to direct photolysis by sunlight(SRC). Source: Hazardous Substances Data Bank (HSDB)
- Sources/Uses: Used as a research chemical; [HSDB] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Uses: ... N-Nitroso compounds are produced primarily as research chemicals and not for commercial purposes. /N-Nitroso compounds/ Source: Hazardous Substances Data Bank (HSDB)
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| EMBL-EBI ChEBI | Exact match | 2026-08-31 |
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.
Verified chemistry for CAS 10595-95-6
N-Nitrosomethylethylamine
- IUPAC name
- N-ethyl-N-methylnitrous amide
- Molecular formula
- C3H8N2O
- Molecular weight
- 88.11 g/mol
- Exact mass
- 88.063662883 Da
- Monoisotopic mass
- 88.063662883 Da
- XLogP3
- 0.6
- Topological polar surface area
- 32.7 Ų
- Molecular complexity
- 46.0
- Formal charge
- 0
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Covalent units
- 1
Names and synonyms reported to PubChem
16 more reported names
External database identifiers
- ChEBI:CHEBI:82360
- ChEMBL:CHEMBL164852
- EPA DTXSID:DTXSID6021036
- PubMed:21819861
- PubMed:18648862
- PubMed:17904190
- PubMed:16599441
- PubMed:15619126
Advanced structure statistics
- Defined atom stereocentres
- 0
- Undefined atom stereocentres
- 0
- Defined bond stereocentres
- 0
- Undefined bond stereocentres
- 0
- 3D pharmacophore features
- 0
- 3D rings
- 0
- 3D hydrophobes
- 0
- 3D acceptor features
- 0
- 3D donor features
- 0
- 3D anionic centres
- 0
- 3D cationic centres
- 0
- 3D conformers
- 10
- Effective 3D rotors
- 2.0
Machine-readable structure identifiers
- SMILES
CCN(C)N=O- InChI
InChI=1S/C3H8N2O/c1-3-5(2)4-6/h3H2,1-2H3- InChIKey
RTDCJKARQCRONF-UHFFFAOYSA-N
Evidence from additional scientific databases
EMBL-EBI ChEBI
N-Nitrosomethylethylamine
- Formula
- C3H8N2O
- Average mass
- 88.110 g/mol
- Monoisotopic mass
- 88.06366 Da
- Formal charge
- 0
- nitroso compound — is a (CHEBI:35800)
- nitroso compound — is a (CHEBI:35800)
Cross-references from this source
- CAS: 10595-95-6 — KEGG COMPOUND
- MANUAL_X_REF: C19281 — KEGG COMPOUND
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 163 °C at 747 mm Hg Source: Hazardous Substances Data Bank (HSDB)
- Boiling Point: 170 °C Source: Occupational Safety and Health Administration (OSHA)
- Color/Form: Yellow liquid Source: Hazardous Substances Data Bank (HSDB)
- Density: 0.9448 at 18 °C/4 °C Source: Hazardous Substances Data Bank (HSDB)
- Flash Point: 76 °C Source: Occupational Safety and Health Administration (OSHA)
- LogP: log Kow = 0.04 Source: Hazardous Substances Data Bank (HSDB)
- Physical Description: Yellow liquid; [HSDB] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Physical Description: Pale yellow oil. Source: Occupational Safety and Health Administration (OSHA)
- Solubility: Soluble in water (30%) and in organic solvents & lipids Source: Hazardous Substances Data Bank (HSDB)
- Vapor Pressure: 1.1 [mmHg] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- IARC Carcinogenic Agent: N-Nitrosomethylethylamine Source: International Agency for Research on Cancer (IARC)
- IARC Carcinogenic Classes: Group 2B: Possibly carcinogenic to humans Source: International Agency for Research on Cancer (IARC)
- IARC Monographs: Volume 17: (1978) Some N-Nitroso Compounds; Volume Sup 7: Overall Evaluations of Carcinogenicity: An Updating of IARC Monographs Volumes 1 to 42, 1987; 440 pages; ISBN 92-832-1411-0 (out of print) Source: International Agency for Research on Cancer (IARC)
- Publication Year: 1987 Source: International Agency for Research on Cancer (IARC)
- Evaluation Year: 1987 Source: International Agency for Research on Cancer (IARC)
- Note: This chemical does not meet GHS hazard criteria for 5.9% (3 of 51) of reports. Source: European Chemicals Agency (ECHA)
- Signal: Danger Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H301 (94.1%): Toxic if swallowed [Danger Acute toxicity, oral]; H315 (78.4%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (78.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (78.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H351 (94.1%): Suspected of causing cancer [Warning Carcinogenicity] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 51 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Reported as not meeting GHS hazard criteria per 3 of 51 reports by companies.; There are 6 notifications provided by 48 of 51 reports by companies with hazard statement code(s).; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
- Signal: Danger Source: NITE-CMC
- GHS Hazard Statements: H301: Toxic if swallowed [Danger Acute toxicity, oral]; H351: Suspected of causing cancer [Warning Carcinogenicity] Source: NITE-CMC
- Precautionary Statement Codes: P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement) Source: NITE-CMC
- Environmental Bioconcentration: An estimated BCF of 3 was calculated in fish for N-nitrosomethylethylamine(SRC), using a log Kow of 0.04(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests that bioconcentration in aquatic organisms is low(SRC). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 43(SRC), determined from a structure estimation method(2), indicates that N-nitrosomethylethylamine is expected to have very high mobility in soil(SRC). Volatilization of N-nitrosomethylethylamine from moist soil surfaces may be an important fate process(SRC) given an estimated Henry's Law constant of 1.44X10-6 atm-cu m/mole(SRC), using a fragment constant estimation method(2). N-Nitrosomethylethylamine is expected to volatilize from dry soil surfaces(SRC) based upon a an estimated vapor pressure of 1.1 mm Hg at 20 °C(3). Nitrosamines (such as N-nitrosomethylethylamine) photolyze rapidly in aqueous solution(4,5); therefore, photolysis is expected to occur on soil surfaces exposed to sunlight(SRC). N-Nitrosomethylethylamine has been shown to biodegrade slowly in anaerobic tests using digester sludge inocula(6). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 43(SRC), determined from a structure estimation method(2), indicates that N-nitrosomethylethylamine is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected at occur slowly(3) based upon an estimated Henry's Law constant of 1.44X10-6 atm-cu m/mole at 25 °C(SRC), developed using a fragment constant estimation method(2). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 24 and 177 days, respectively(SRC). According to a classification scheme(4), an estimated BCF of 3(SRC), from its log Kow of 0.04(5) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Nitrosamines (such as N-nitrosomethylethylamine) photolyze rapidly in aqueous solution(6); at a solar zenith angle of 40 deg N, the photolysis half-life of N-nitrosomethylethylamine and similar nitrosamines at the water's surface (exposed to full sunlight) is about 5.8 min(6). The direct photolysis rate constant for N-nitrosomethylethylamine in aqueous solution exposed to Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), N-nitrosomethylethylamine, which has an estimated vapor pressure of 1.1 mm Hg at 20 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase N-nitrosomethylethylamine is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 1.6 days(SRC), calculated from its rate constant of 1.0X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Vapor-phase N-nitrosomethylethylamine may degrade readily via direct photolysis(SRC) based on rapid degradation in aqueous solution which has estimated half-lives of 5.8 minutes at a solar zenith angle of 40 deg N(4) and 15 minutes under California midsummer, midday sun irradiation(5). Source: Hazardous Substances Data Bank (HSDB)
- Sources/Uses: Used as a research chemical; [HSDB] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Uses: RESEARCH CHEMICAL Source: Hazardous Substances Data Bank (HSDB)
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| EMBL-EBI ChEBI | Exact match | 2026-08-31 |
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.
Verified chemistry for CAS 1116-54-7
N-Nitrosodiethanolamine
- IUPAC name
- N,N-bis(2-hydroxyethyl)nitrous amide
- Molecular formula
- C4H10N2O3
- Molecular weight
- 134.13 g/mol
- Exact mass
- 134.06914219 Da
- Monoisotopic mass
- 134.06914219 Da
- XLogP3
- -1.5
- Topological polar surface area
- 73.1 Ų
- Molecular complexity
- 72.0
- Formal charge
- 0
- Hydrogen-bond donors
- 2
- Hydrogen-bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Covalent units
- 1
Names and synonyms reported to PubChem
16 more reported names
External database identifiers
- ChEBI:CHEBI:82357
- ChEMBL:CHEMBL1334
- EPA DTXSID:DTXSID7021027
- PubMed:37527026
- PubMed:30102407
- PubMed:18616954
Advanced structure statistics
- Defined atom stereocentres
- 0
- Undefined atom stereocentres
- 0
- Defined bond stereocentres
- 0
- Undefined bond stereocentres
- 0
- 3D pharmacophore features
- 4
- 3D rings
- 0
- 3D hydrophobes
- 0
- 3D acceptor features
- 2
- 3D donor features
- 2
- 3D anionic centres
- 0
- 3D cationic centres
- 0
- 3D conformers
- 10
- Effective 3D rotors
- 5.0
Machine-readable structure identifiers
- SMILES
C(CO)N(CCO)N=O- InChI
InChI=1S/C4H10N2O3/c7-3-1-6(5-9)2-4-8/h7-8H,1-4H2- InChIKey
YFCDLVPYFMHRQZ-UHFFFAOYSA-N
Evidence from additional scientific databases
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 237 °F at 1.5 mmHg (NTP, 1992) Source: CAMEO Chemicals
- Boiling Point: 114 °C at 1.4 mm Hg Source: Hazardous Substances Data Bank (HSDB)
- Boiling Point: 237 °F at 1.5 mmHg Source: Occupational Safety and Health Administration (OSHA)
- Color/Form: Light yellow oil Source: Hazardous Substances Data Bank (HSDB)
- Color/Form: Viscous yellow oil Source: Hazardous Substances Data Bank (HSDB)
- Density: 1.28 (NTP, 1992) - Denser than water; will sink Source: CAMEO Chemicals
- Density: 1.28 Source: Occupational Safety and Health Administration (OSHA)
- Odor: Odorless Source: Hazardous Substances Data Bank (HSDB)
- Physical Description: N-nitrosodiethanolamine is a yellow to dark brown very viscous liquid with no distinct odor. (NTP, 1992) Source: CAMEO Chemicals
- Physical Description: Light yellow liquid; [Merck Index] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Physical Description: Yellow to dark brown very viscous liquid with no distinct odor. Source: Occupational Safety and Health Administration (OSHA)
- Refractive Index: Max absorption (water): 234 nm (E= 470.7); 345 nm (Log E= 5.3); index of refraction: 1.4540 @ 20 °C/D Source: Hazardous Substances Data Bank (HSDB)
- Refractive Index: Index of refraction: 1.4849 at 20 °C/D Source: Hazardous Substances Data Bank (HSDB)
- Solubility: greater than or equal to 100 mg/mL at 68.9 °F (NTP, 1992) Source: CAMEO Chemicals
- Solubility: Miscible with water in all proportions; soluble in polar organic solvents; insoluble in non-polar organic solvents Source: Hazardous Substances Data Bank (HSDB)
- Vapor Pressure: 0.0005 [mmHg] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Viscosity: Highly viscous Source: Hazardous Substances Data Bank (HSDB)
- IARC Carcinogenic Agent: N-Nitrosodiethanolamine Source: International Agency for Research on Cancer (IARC)
- IARC Carcinogenic Classes: Group 2B: Possibly carcinogenic to humans Source: International Agency for Research on Cancer (IARC)
- IARC Monographs: Volume 17: (1978) Some N-Nitroso Compounds; Volume Sup 7: Overall Evaluations of Carcinogenicity: An Updating of IARC Monographs Volumes 1 to 42, 1987; 440 pages; ISBN 92-832-1411-0 (out of print); Volume 77: (2000) Some Industrial Chemicals Source: International Agency for Research on Cancer (IARC)
- Publication Year: 2000 Source: International Agency for Research on Cancer (IARC)
- Evaluation Year: 2000 Source: International Agency for Research on Cancer (IARC)
- First Aid: EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.; SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. IMMEDIATELY call a hospital or poison control center even if no symptoms (such as redness or irritation) develop. IMMEDIATELY transport the victim to a hospital for treatment after washing the affected areas.; INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. IMMEDIATELY call a physician and be prepared to transport the victim to a hospital even if no symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop. Provide proper respiratory protection to rescuers entering an unknow Source: CAMEO Chemicals
- Signal: Danger Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- GHS Hazard Statements: H350: May cause cancer [Danger Carcinogenicity] Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- Precautionary Statement Codes: P203, P280, P318, P405, and P501 (click each P-code to see the statement) Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- Signal: Danger Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H225 (30.1%): Highly Flammable liquid and vapor [Danger Flammable liquids]; H350 (100%): May cause cancer [Danger Carcinogenicity] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P203, P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P318, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 133 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
- Signal: Danger Source: NITE-CMC
- GHS Hazard Statements: H350: May cause cancer [Danger Carcinogenicity] Source: NITE-CMC
- Precautionary Statement Codes: P203, P280, P318, P405, and P501 (click each P-code to see the statement) Source: NITE-CMC
- GHS Hazard Statements: H225: Highly Flammable liquid and vapor [Danger Flammable liquids] Source: NITE-CMC
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement) Source: NITE-CMC
- Environmental Bioconcentration: An estimated BCF of 3 was calculated in fish for N-nitrosodiethanolamine(SRC), using an estimated log Kow of -1.28(1) and a regression-derived equation(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1(SRC), determined from a structure estimation method(2), indicates that N-nitrosodiethanolamine is expected to have very high mobility in soil(SRC). Volatilization of N-nitrosodiethanolamine from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 4.9X10-12 atm-cu m/mole(SRC), using a fragment constant estimation method(2). N-Nitrosodiethanolamine is not expected to volatilize from dry soil surfaces based on an estimated vapor pressure of 5.0X10-4 mm Hg at 20 °C(3). N-Nitrosodiethanolamine has a UV absorption max at 345 nm(4) which indicates that the compound may be susceptible to direct photolysis by sunlight(SRC). Biodegradation in soil may be slow(SRC), based upon N-nitrosodiethanolamine's slow biodegradation in two lake waters and sewage(5). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1(SRC), determined from a structure estimation method(2), indicates that N-nitrosodiethanolamine is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 4.9X10-12 atm-cu m/mole(SRC), developed using a fragment constant estimation method(2). According to a classification scheme(4), an estimated BCF of 3(SRC), from an estimated log Kow of -1.28(2) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low. The direct photolysis rate constant for the analogous compound N-nitrosodiethylamine in aqueous solution exposed to irradiation representing Southern California midsummer, midday sun was observed to be 0.045/min with a half-life of 15 minutes and a quantum yield of 0.43(5); the photolysis rate of N-Nitrosodiethanolamine is expected to be similar(SRC). N-Nitrosodiethanolamine biodegraded slowly in samples of sewage and two lake waters(6). The fastest degradation of N-nitrosodiethanolamine in a lake water sample was in one taken in August; an initia Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), N-nitrosodiethanolamine, which has an estimated vapor pressure of 5.0X10-4 mm Hg at 20 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase N-nitrosodiethanolamine is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 13 hours(SRC), calculated from its rate constant of 3X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). N-Nitrosodiethanolamine has a UV absorption max at 345 nm(4) which indicates that N-Nitrosodiethanolamine may be susceptible to direct photolysis by sunlight(SRC). Source: Hazardous Substances Data Bank (HSDB)
- Sources/Uses: May contaminate cosmetics and cutting fluids; [Merck Index] Used as a research chemical; [HSDB] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Industrial Processes with risk of exposure: Metal Machining [Category: Heat or Machine] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Uses: There is no known commercial use for N-nitrosodiethanolamine. Source: Hazardous Substances Data Bank (HSDB)
- Uses: It is available in research quantities. Source: Hazardous Substances Data Bank (HSDB)
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.
Verified chemistry for CAS 35576-91-1
Nitrosamine
- IUPAC name
- nitrous amide
- Molecular formula
- H2N2O
- Molecular weight
- 46.029 g/mol
- Exact mass
- 46.016712692 Da
- Monoisotopic mass
- 46.016712692 Da
- XLogP3
- -0.6
- Topological polar surface area
- 55.5 Ų
- Molecular complexity
- 10.0
- Formal charge
- 0
- Hydrogen-bond donors
- 1
- Hydrogen-bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 3
- Covalent units
- 1
Names and synonyms reported to PubChem
9 more reported names
External database identifiers
Advanced structure statistics
- Defined atom stereocentres
- 0
- Undefined atom stereocentres
- 0
- Defined bond stereocentres
- 0
- Undefined bond stereocentres
- 0
- 3D pharmacophore features
- 0
- 3D rings
- 0
- 3D hydrophobes
- 0
- 3D acceptor features
- 0
- 3D donor features
- 0
- 3D anionic centres
- 0
- 3D cationic centres
- 0
- 3D conformers
- 1
- Effective 3D rotors
- 0.0
Machine-readable structure identifiers
- SMILES
NN=O- InChI
InChI=1S/H2N2O/c1-2-3/h(H2,1,3)- InChIKey
XKLJHFLUAHKGGU-UHFFFAOYSA-N
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.
Verified chemistry for CAS 55-18-5
N-Nitrosodiethylamine
- IUPAC name
- N,N-diethylnitrous amide
- Molecular formula
- C4H10N2O
- Molecular weight
- 102.14 g/mol
- Exact mass
- 102.079312947 Da
- Monoisotopic mass
- 102.079312947 Da
- XLogP3
- 0.5
- Topological polar surface area
- 32.7 Ų
- Molecular complexity
- 51.0
- Formal charge
- 0
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Covalent units
- 1
Names and synonyms reported to PubChem
16 more reported names
External database identifiers
- ChEBI:CHEBI:34873
- ChEMBL:CHEMBL164290
- EPA DTXSID:DTXSID2021028
- PubMed:40882885
- PubMed:40754433
- PubMed:40613636
- PubMed:40527421
- PubMed:40319998
- PubMed:38866194
- PubMed:38798245
- PubMed:38369053
- PubMed:38367245
- PubMed:37858842
- PubMed:37527026
- PubMed:37258237
Advanced structure statistics
- Defined atom stereocentres
- 0
- Undefined atom stereocentres
- 0
- Defined bond stereocentres
- 0
- Undefined bond stereocentres
- 0
- 3D pharmacophore features
- 0
- 3D rings
- 0
- 3D hydrophobes
- 0
- 3D acceptor features
- 0
- 3D donor features
- 0
- 3D anionic centres
- 0
- 3D cationic centres
- 0
- 3D conformers
- 10
- Effective 3D rotors
- 3.0
Machine-readable structure identifiers
- SMILES
CCN(CC)N=O- InChI
InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3- InChIKey
WBNQDOYYEUMPFS-UHFFFAOYSA-N
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.
Verified chemistry for CAS 59-89-2
N-Nitrosomorpholine
- IUPAC name
- 4-nitrosomorpholine
- Molecular formula
- C4H8N2O2
- Molecular weight
- 116.12 g/mol
- Exact mass
- 116.058577502 Da
- Monoisotopic mass
- 116.058577502 Da
- XLogP3
- -0.4
- Topological polar surface area
- 41.9 Ų
- Molecular complexity
- 80.0
- Formal charge
- 0
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Covalent units
- 1
Names and synonyms reported to PubChem
16 more reported names
External database identifiers
- ChEBI:CHEBI:76326
- ChEMBL:CHEMBL165908
- EPA DTXSID:DTXSID4021056
- PubMed:33211169
- PubMed:24990399
- PubMed:23288050
- PubMed:22967534
- PubMed:22634710
- PubMed:22529816
- PubMed:22490195
- PubMed:22458541
- PubMed:22353776
- PubMed:22352424
- PubMed:22272003
- PubMed:22234074
Advanced structure statistics
- Defined atom stereocentres
- 0
- Undefined atom stereocentres
- 0
- Defined bond stereocentres
- 0
- Undefined bond stereocentres
- 0
- 3D pharmacophore features
- 2
- 3D rings
- 1
- 3D hydrophobes
- 0
- 3D acceptor features
- 1
- 3D donor features
- 0
- 3D anionic centres
- 0
- 3D cationic centres
- 0
- 3D conformers
- 10
- Effective 3D rotors
- 2.2
Machine-readable structure identifiers
- SMILES
C1COCCN1N=O- InChI
InChI=1S/C4H8N2O2/c7-5-6-1-3-8-4-2-6/h1-4H2- InChIKey
ZKXDGKXYMTYWTB-UHFFFAOYSA-N
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.
Verified chemistry for CAS 62-75-9
N-Nitrosodimethylamine
N-nitrosodimethylamine is a nitrosamine. It has a role as a geroprotector and a mutagen. — ChEBI
- IUPAC name
- N,N-dimethylnitrous amide
- Molecular formula
- C2H6N2O
- Molecular weight
- 74.08 g/mol
- Exact mass
- 74.048012819 Da
- Monoisotopic mass
- 74.048012819 Da
- XLogP3
- -0.6
- Topological polar surface area
- 32.7 Ų
- Molecular complexity
- 34.0
- Formal charge
- 0
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Covalent units
- 1
Names and synonyms reported to PubChem
16 more reported names
External database identifiers
- ChEBI:CHEBI:35807
- ChEMBL:CHEMBL117311
- EPA DTXSID:DTXSID7021029
- PubMed:39395750
- PubMed:35882637
- PubMed:34510228
- PubMed:34472159
- PubMed:32833043
- PubMed:30203046
- PubMed:30172374
- PubMed:29777724
- PubMed:29024620
- PubMed:28321044
- PubMed:27913846
- PubMed:27009110
Advanced structure statistics
- Defined atom stereocentres
- 0
- Undefined atom stereocentres
- 0
- Defined bond stereocentres
- 0
- Undefined bond stereocentres
- 0
- 3D pharmacophore features
- 0
- 3D rings
- 0
- 3D hydrophobes
- 0
- 3D acceptor features
- 0
- 3D donor features
- 0
- 3D anionic centres
- 0
- 3D cationic centres
- 0
- 3D conformers
- 3
- Effective 3D rotors
- 1.0
Machine-readable structure identifiers
- SMILES
CN(C)N=O- InChI
InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3- InChIKey
UMFJAHHVKNCGLG-UHFFFAOYSA-N
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.
Verified chemistry for CAS 621-64-7
N-Nitrosodipropylamine
N-Nitrosodi-n-propylamine is a nitroso compound. — ChEBI
- IUPAC name
- N,N-dipropylnitrous amide
- Molecular formula
- C6H14N2O
- Molecular weight
- 130.19 g/mol
- Exact mass
- 130.110613074 Da
- Monoisotopic mass
- 130.110613074 Da
- XLogP3
- 1.4
- Topological polar surface area
- 32.7 Ų
- Molecular complexity
- 69.0
- Formal charge
- 0
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Covalent units
- 1
Names and synonyms reported to PubChem
16 more reported names
External database identifiers
- ChEBI:CHEBI:82358
- ChEMBL:CHEMBL166242
- EPA DTXSID:DTXSID6021032
- PubMed:22967534
- PubMed:22490195
- PubMed:22368400
- PubMed:22352424
- PubMed:21863807
- PubMed:21860508
- PubMed:21819861
- PubMed:21377686
- PubMed:21089930
- PubMed:20816717
- PubMed:19161662
- PubMed:17937298
Advanced structure statistics
- Defined atom stereocentres
- 0
- Undefined atom stereocentres
- 0
- Defined bond stereocentres
- 0
- Undefined bond stereocentres
- 0
- 3D pharmacophore features
- 2
- 3D rings
- 0
- 3D hydrophobes
- 2
- 3D acceptor features
- 0
- 3D donor features
- 0
- 3D anionic centres
- 0
- 3D cationic centres
- 0
- 3D conformers
- 10
- Effective 3D rotors
- 5.0
Machine-readable structure identifiers
- SMILES
CCCN(CCC)N=O- InChI
InChI=1S/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3- InChIKey
YLKFDHTUAUWZPQ-UHFFFAOYSA-N
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.
Verified chemistry for CAS 64091-91-4
4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanone
- IUPAC name
- N-methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide
- Molecular formula
- C10H13N3O2
- Molecular weight
- 207.23 g/mol
- Exact mass
- 207.100776666 Da
- Monoisotopic mass
- 207.100776666 Da
- XLogP3
- 0.8
- Topological polar surface area
- 62.6 Ų
- Molecular complexity
- 221.0
- Formal charge
- 0
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Covalent units
- 1
Names and synonyms reported to PubChem
16 more reported names
External database identifiers
- ChEBI:CHEBI:32692
- ChEMBL:CHEMBL2311069
- EPA DTXSID:DTXSID3020881
- PubMed:40706909
- PubMed:35435490
- PubMed:34974052
- PubMed:34784199
- PubMed:33939976
- PubMed:32672941
- PubMed:32326378
- PubMed:31759049
- PubMed:31307193
- PubMed:30259641
- PubMed:30236600
- PubMed:28321046
Advanced structure statistics
- Defined atom stereocentres
- 0
- Undefined atom stereocentres
- 0
- Defined bond stereocentres
- 0
- Undefined bond stereocentres
- 0
- 3D pharmacophore features
- 3
- 3D rings
- 1
- 3D hydrophobes
- 0
- 3D acceptor features
- 2
- 3D donor features
- 0
- 3D anionic centres
- 0
- 3D cationic centres
- 0
- 3D conformers
- 10
- Effective 3D rotors
- 6.0
Machine-readable structure identifiers
- SMILES
CN(CCCC(=O)C1=CN=CC=C1)N=O- InChI
InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3- InChIKey
FLAQQSHRLBFIEZ-UHFFFAOYSA-N
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.
Verified chemistry for CAS 924-16-3
N-Nitrosodibutylamine
- IUPAC name
- N,N-dibutylnitrous amide
- Molecular formula
- C8H18N2O
- Molecular weight
- 158.24 g/mol
- Exact mass
- 158.141913202 Da
- Monoisotopic mass
- 158.141913202 Da
- XLogP3
- 2.6
- Topological polar surface area
- 32.7 Ų
- Molecular complexity
- 88.0
- Formal charge
- 0
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Covalent units
- 1
Names and synonyms reported to PubChem
16 more reported names
External database identifiers
- ChEBI:CHEBI:82356
- ChEMBL:CHEMBL354920
- EPA DTXSID:DTXSID2021026
- PubMed:22967534
- PubMed:22490195
- PubMed:22352424
- PubMed:22265500
- PubMed:21941546
- PubMed:21863807
- PubMed:21860504
- PubMed:21843899
- PubMed:21819861
- PubMed:21377686
- PubMed:21089926
- PubMed:20816717
Advanced structure statistics
- Defined atom stereocentres
- 0
- Undefined atom stereocentres
- 0
- Defined bond stereocentres
- 0
- Undefined bond stereocentres
- 0
- 3D pharmacophore features
- 2
- 3D rings
- 0
- 3D hydrophobes
- 2
- 3D acceptor features
- 0
- 3D donor features
- 0
- 3D anionic centres
- 0
- 3D cationic centres
- 0
- 3D conformers
- 10
- Effective 3D rotors
- 7.0
Machine-readable structure identifiers
- SMILES
CCCCN(CCCC)N=O- InChI
InChI=1S/C8H18N2O/c1-3-5-7-10(9-11)8-6-4-2/h3-8H2,1-2H3- InChIKey
YGJHZCLPZAZIHH-UHFFFAOYSA-N
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.
Verified chemistry for CAS 930-55-2
N-Nitrosopyrrolidine
- IUPAC name
- 1-nitrosopyrrolidine
- Molecular formula
- C4H8N2O
- Molecular weight
- 100.12 g/mol
- Exact mass
- 100.063662883 Da
- Monoisotopic mass
- 100.063662883 Da
- XLogP3
- -0.2
- Topological polar surface area
- 32.7 Ų
- Molecular complexity
- 68.0
- Formal charge
- 0
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Covalent units
- 1
Names and synonyms reported to PubChem
16 more reported names
External database identifiers
- ChEBI:CHEBI:82362
- ChEMBL:CHEMBL351175
- EPA DTXSID:DTXSID8021062
- PubMed:35690182
- PubMed:32234424
- PubMed:22967534
- PubMed:22654773
- PubMed:22352424
- PubMed:22276591
- PubMed:22108029
- PubMed:22064282
- PubMed:21946166
- PubMed:21863807
- PubMed:21860516
- PubMed:21559252
Advanced structure statistics
- Defined atom stereocentres
- 0
- Undefined atom stereocentres
- 0
- Defined bond stereocentres
- 0
- Undefined bond stereocentres
- 0
- 3D pharmacophore features
- 1
- 3D rings
- 1
- 3D hydrophobes
- 0
- 3D acceptor features
- 0
- 3D donor features
- 0
- 3D anionic centres
- 0
- 3D cationic centres
- 0
- 3D conformers
- 6
- Effective 3D rotors
- 2.0
Machine-readable structure identifiers
- SMILES
C1CCN(C1)N=O- InChI
InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2- InChIKey
WNYADZVDBIBLJJ-UHFFFAOYSA-N
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.
Official source and provenance
- Registered source
- Brazil ANVISA consolidated prohibited substances — RDC 529/2021 through RDC 1.030/2026
- Source reference
- RDC 529/2021 consolidated annex, entry 410 (through RDC 1.030/2026)
- Source record ID
annex:410- Source version
- RDC 529/2021 consolidated through RDC 1.030/2026
- Source language
- Portuguese with official English identity where published
- Translation status
- Official English translation · English translation
- Effective date
- 2026-06-15
- Source updated
- 2026-06-15
- Snapshot checked
- 2026-08-31 15:26 UTC
- Validation method
- pdfplumber government baseline + 4 RDC 1.030 exclusions + 15 additions; 1,387 substantive rows
- SHA-256
a212e85540a186a842664fbdd4f351af0b1b4baeeb0c4765b9b52c6ce91c1e84
Registered dataset notes
- Dataset coverage
- All 1,387 substantive current prohibited rows after applying RDC 1.030/2026 additions, amendments and exclusions to RDC 529/2021
- Authority note
- Binding consolidated prohibited list for personal-hygiene products, cosmetics and perfumes
How this record fits the market dataset
Status distribution
Condition text is present on 1387 of 1387 current records. An empty condition field is interpreted according to the record type above; it is never converted into an unrestricted-use claim.
Brazil market context
Complete prohibited dataset plus current restricted-list workflow
Coverage version: ANVISA RDC 1.029/2026 and RDC 1.030/2026, published 15 June 2026
All 1,387 substantive current prohibited rows in RDC 529/2021 consolidated through RDC 1.030/2026, plus the current RDC 1.029 restricted-list and identity workflow.
Verification checklist
- Resolve Portuguese, INCI and CAS identity with the ANVISA crosswalk.
- Check the consolidated prohibited list including RDC 1.030/2026 changes.
- Apply RDC 1.029/2026 restrictions and the still-effective complementary rules.
- Verify Mercosur incorporation, regularisation, labelling and transition periods.
Official market sources
- Brazil ANVISA INCI translation panelIdentity and labelling crosswalk only; regulatory lists must be sourced separately
- Brazil ANVISA restricted substances — RDC 1.029/2026Binding ANVISA resolution effective on publication; replaced RDC 530/2021 for this list part
- Brazil ANVISA consolidated prohibited substances — RDC 529/2021 through RDC 1.030/2026Binding consolidated prohibited list for personal-hygiene products, cosmetics and perfumes
Verification workflow and record completeness
Before using this result in a compliance decision
- Confirm that “Nitrosaminas” and every CAS/EC identifier refer to the material in your supplier specification.
- Resolve Portuguese, INCI and CAS identity with the ANVISA crosswalk.
- Check the consolidated prohibited list including RDC 1.030/2026 changes.
- Apply RDC 1.029/2026 restrictions and the still-effective complementary rules.
- Verify Mercosur incorporation, regularisation, labelling and transition periods.
- Document the source version and recheck the regulator before manufacture, notification or market placement.
Fields available in this record
- Official substance nameAvailable
- CASAvailable
- ECAvailable
- Separate condition textAvailable
- Effective dateAvailable
- Snapshot hash and methodAvailable
Questions this page answers
Stable citation
Nitrosaminas. RDC 529/2021 consolidated annex, entry 410 (through RDC 1.030/2026). Brazil. Source version RDC 529/2021 consolidated through RDC 1.030/2026. CosIng Checker regulatory record: https://cosingchecker.com/regulations/br/records/13614/
Cite the regulator as the legal authority. This page is a structured evidence index and verification aid, not a substitute for the official text or professional legal assessment.
Interpretation and limits for Brazil
This official record identifies the substance as prohibited for cosmetic use in the stated market scope.
Do not rely on a formulation containing this identity until the cited source, effective date and exact substance match have been verified.
How to interpret the legal role
The cited row forms part of a binding rule or legally incorporated list for this market.
Evidence on this page
- Recorded outcome: Prohibited
- Legal role: Binding rule
- Source version: RDC 529/2021 consolidated through RDC 1.030/2026
- Effective date: 2026-06-15
What it does not prove
RDC 1.030/2026 amends rather than replaces the prohibited baseline, and the second restricted-list revision was still under consultation in July 2026.
Further authoritative substance research
These sources can add identity, safety, exposure or hazard context. A link is not evidence that the database contains this exact substance, and none of these sources overrides the market decision above.
Cosmetic Ingredient Review safety assessments
Expert Panel conclusions, assessed ingredient groups, use conditions, dates and report documents
Independent expert review considered by FDA; not a government approval or binding market rule
Research this identity at the sourceFDA Global Substance Registration System
UNII identifiers, preferred names, substance types, codes and public substance relationships
Identity registry only; UNII availability does not imply FDA review or approval
Research this identity at the sourceILO/WHO International Chemical Safety Cards
Hazards, symptoms, first aid, storage, incompatibilities and physical properties for covered chemicals
International occupational chemical-safety reference; not cosmetic-use approval
Research this identity at the sourceJapan NITE-CHRIP
Chemical identity, Japanese and foreign legal lists, GHS hazards and exposure-related information
Chemical-management evidence; cosmetic status remains governed by the applicable MHLW standard and market rules
Research this identity at the sourceNIOSH Pocket Guide to Chemical Hazards
REL, PEL, IDLH, properties, exposure routes, symptoms, target organs, first aid and measurement methods for covered workplace chemicals
US occupational-health guidance and limits; not a cosmetic ingredient decision
Research this identity at the sourceOECD eChemPortal
Gateway to authority-owned physical-property, fate, ecotoxicity, toxicity, exposure and GHS records
Discovery gateway; each linked authority remains responsible for its data
Research this identity at the sourceUS EPA CompTox CTX APIs
API key required for importDTXSID identity, experimental and predicted properties, toxicity, bioactivity, exposure and environmental data
Scientific and computational evidence; predictions must remain labelled and do not determine cosmetic legality
Research this identity at the source