
Theobromine
Theobromine is an odorless white crystalline powder. Bitter taste. pH (saturated solution in water): 5.5-7. (NTP, 1992) — CAMEO Chemicals
- IUPAC name
- 3,7-dimethylpurine-2,6-dione
- Molecular formula
- C7H8N4O2
- Molecular weight
- 180.16 g/mol
- Exact mass
- 180.06472551 Da
- XLogP3
- -0.8
- Topological polar surface area
- 67.2 Ų
- Hydrogen-bond donors
- 1
- Hydrogen-bond acceptors
- 3
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
16 more reported names
External database identifiers
- ChEBI:CHEBI:28946
- ChEMBL:CHEMBL1114
- EPA DTXSID:DTXSID9026132
- PubMed:31132250
- PubMed:29968805
- PubMed:23094271
- PubMed:22895979
- PubMed:22824731
- PubMed:22751681
- PubMed:22690251
- PubMed:22675703
- PubMed:22662200
- PubMed:22591221
- PubMed:22554278
- PubMed:22540095
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.