| caffein; 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 (Coffeine); p. 590, 📖Org. Chem., v. Richter, 1. Vol (Caffeine); p. 387, 572, 590 |
| MeSH: | Central Nervous System Agents; Central Nervous System Stimulants; Enzyme Inhibitors; Neurotransmitter Agents; Purinergic Agents |
| CAS RN: | [58-08-2] |
| Formula: | C8H10N4O2; 194.19 g/mol |
| InChiKey: | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| SMILES: | Cn1cnc2N(C)C(=O)N(C)C(=O)c12 |
| 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 | |