CAS Number519-32-4
Synonyms1,3,9-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; ISOCAFFIENE
Molecular FormulaC8H10N4O2
Molecular Weight194.19
Density1.5±0.1 g/cm3
Boiling Point416.8±37.0 °C at 760 mmHg
Melting Point288-290ºC (dec.)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 519-32-4 |
| Catalog No. | 2A-3176893 |
| Chinese Name | 1,3,9-三甲基黄嘌呤 |
| 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; ISOCAFFIENE |
| Molecular Formula | C8H10N4O2 |
| Molecular Weight | 194.19 |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 416.8±37.0 °C at 760 mmHg |
| Melting Point | 288-290ºC (dec.) |
| Water Solubility | H2O: >20mg/mL |
| Storage Condition | Store in a cool, dry, well-ventilated warehouse. K |
| HTC | 2933990090 |
| SMILES | Cn1c(=O)c2ncn(C)c2n(C)c1=O |
| InChI | InChI=1S/C8H10N4O2/c1-10-4-9-5-6(10)11(2)8(14)12(3)7(5)13/h4H,1-3H3 |
| InChI Key | LPHGQDQBBGAPDZ-UHFFFAOYSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| MSDS | msds/177430_1_519_32_4.pdf |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: 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% |
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