| Identification | |
| Name: | 1,3,7-trimethylpurine-2,6-dione |
| Synonyms: | Natural Caffeine Anhydrous;A.S.A. And codeine compound;Ai3-20154 |
| CAS: | 95789-13-2 |
| Molecular Formula: | C8H10N4O2 |
| Molecular Weight: | 0 |
| InChI: | InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 |
| Molecular Structure: |  |
| Properties | |
| Melting Point: | 238 DEG C (ANHYD) |
| Boiling Point: | 178 deg C (sublimes) |
| Solubility: | SOL IN PYRIDINE. Freely sol in pyrrole; slightly sol in petroleum ether; freely sol in tetrahydrofuran containing about 4% water 1 gm dissolves in 46 mL water, 5.5 mL water at 80 deg C, 1.5 mL boiling water, 66 mL alcohol, 22 mL alcohol at 60 deg C, 50 mL acetone, 5.5 mL chloroform, 530 mL ether, 100 mL benzene, 22 mL boiling benzene. In water, 2.16X10+4 mg/L at 25 deg C |
| Color: | White, prismatic crystals Prism-like crystals |
| Safety Data | |
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