caffeine


caffeine; 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione; 1,3,7-trimethylpurine-2,6-dione
Links:🌍 Wikipedia, 📏 NIST,
📖Houben-Weyl, 2. Band (Coffein); p. 235, 299, 306, 887,
📖Org. Chem., v. Richter, 1. Vol (Caffeine); p. 387, 572, 590,
📖Org. Chem., v. Richter, 1. Vol (Coffeine); p. 590
MeSH:Central Nervous System Agents; Central Nervous System Stimulants; Enzyme Inhibitors; Neurotransmitter Agents; Purinergic Agents
CAS:[58-08-2]
Formula:C8H10N4O2; 194.19 g/mol
InChiKey:RYYVLZVUVIJVGH-UHFFFAOYSA-N
SMILES:Cn1cnc2N(C)C(=O)N(C)C(=O)c12
Molecular structure of caffeine
Density:1.230 g/mL
Molar volume:157.9 mL/mol
Melting point:238 °C
Log10 partition octanol / water:-0.07
1g dissolves in:
2.91g pyridine;    3.40g aniline;    7.63g benzaldehyde;    8.00g trichloromethane;    38.46g acetic acid;    43.10g 2-propanone;    53.19g ethanol;    68.49g water;    87.72g methanol;    109.77g benzene;    131.58g trichloroethene;    138.89g pentyl acetate;    172.41g toluene;    200.00g pentanol;    374.53g diethyl ether;    1,123.60g tetrachloromethane;    1,709.40g carbon disulfide

Isomers

benzene-1,4-dicarbohydrazide
Molecular structure of benzene-1,4-dicarbohydrazide
caffeine
Molecular structure of caffeine
3,7-dihydro-1,3,8-trimethyl-1H-purine-2,6-dione
Molecular structure of 3,7-dihydro-1,3,8-trimethyl-1H-purine-2,6-dione
enprofylline
Molecular structure of enprofylline