Introduction：Basic information about CAS 830-65-9|1H-Purine-2,6-dione,3,9-dihydro-1,3,8-trimethyl-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1H-Purine-2,6-dione,3,9-dihydro-1,3,8-trimethyl- |
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| CAS Number | 830-65-9 | Molecular Weight | 194.19100 |
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| Density | 1.395g/cm3 | Boiling Point | 464.9ºC at 760 mmHg |
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| Molecular Formula | C8H10N4O2 | Melting Point | / |
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| MSDS | / | Flash Point | 234.9ºC |
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Names
| Name | 1H-Purine-2,6-dione, 3,9-dihydro-1,3,8-trimethyl |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.395g/cm3 |
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| Boiling Point | 464.9ºC at 760 mmHg |
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| Molecular Formula | C8H10N4O2 |
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| Molecular Weight | 194.19100 |
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| Flash Point | 234.9ºC |
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| Exact Mass | 194.08000 |
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| PSA | 72.68000 |
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| Index of Refraction | 1.605 |
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| InChIKey | WZBKGWBHAPBSBF-UHFFFAOYSA-N |
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| SMILES | Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XH6030000
- CHEMICAL NAME :
- Theophylline, 8-methyl-
- CAS REGISTRY NUMBER :
- 830-65-9
- LAST UPDATED :
- 199206
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H10-N4-O2
- MOLECULAR WEIGHT :
- 194.22
- WISWESSER LINE NOTATION :
- T56 BM DN FNVNVJ C1 F1 H1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 130 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,1202,1971
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Safety Information
Customs
| HS Code | 2933990090 |
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| 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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Synonyms
| 8-Methyltheophyline |
| 3,7-Dihydro-1,3,8-trimethyl-1H-purine-2,6-dione |
| 8-(methyl)theophylline |
| 1,3,8-Trimethyl-3,7-dihydro-purin-2,6-dion |
| 1,3,8-trimethyl-3,7(9)-dihydro-purine-2,6-dione |
| 1,3,8-trimethylxanthine |
| 1,3,8-trimethyl-3,7-dihydro-purine-2,6-dione |
