519-32-4
519-32-4 structure
- Name: Isocaffeine
- Chemical Name: 1,3,9-trimethylpurine-2,6-dione
- CAS Number: 519-32-4
- Molecular Formula: C8H10N4O2
- Molecular Weight: 194.191
- Catalog: Biochemical Nucleoside drugs Nucleotides and their analogues
- Create Date: 2018-07-24 17:45:56
- Modify Date: 2025-08-25 20:01:56
| Name | 1,3,9-trimethylpurine-2,6-dione |
|---|---|
| Synonyms |
1,3,9-Trimethylxanthine
MFCD00022834 Isocaffeine 1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione 1,3,9-trimethyl-3,9-dihydro-purine-2,6-dione 1,9-Trimethylxanthine 1,3,9-Trimethyl-3,9-dihydro-purin-2,6-dion EINECS 208-267-7 2,6-Dihydroxy-1,3,9-trimethylpurine 1H-Purine-2,6-dione, 3,9-dihydro-1,3,9-trimethyl- ISOCAFFIENE |
| Density | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 416.8±37.0 °C at 760 mmHg |
| Melting Point | 288-290ºC (dec.) |
| Molecular Formula | C8H10N4O2 |
| Molecular Weight | 194.191 |
| Flash Point | 205.9±26.5 °C |
| Exact Mass | 194.080383 |
| PSA | 61.82000 |
| LogP | -0.13 |
| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
| Index of Refraction | 1.679 |
| Storage condition | Room temp |
| Water Solubility | H2O: >20mg/mL |
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2933990090 |
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |