
Caffeine
Caffeine appears as odorless white powder or white glistening needles, usually melted together. Bitter taste. Solutions in water are neutral to litmus. Odorless. (NTP, 1992) — CAMEO Chemicals
- IUPAC name
- 1,3,7-trimethylpurine-2,6-dione
- Molecular formula
- C8H10N4O2
- Molecular weight
- 194.19 g/mol
- Exact mass
- 194.08037557 Da
- XLogP3
- -0.1
- Topological polar surface area
- 58.4 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 3
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
16 more reported names
External database identifiers
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.