1H-Purine-2,6-dione,1-(2-buten-1-yl)-3,7-dihydro-3,7-dimethyl-
- 中文别名：1-(2-丁烯基)-3,7-二甲基-1H-嘌呤-2,6(3H,7H)-二酮
- 中文释义：1-but-2-enyl-3,7-dimethylpurine-2,6-dione
- 英文别名：1-but-2-enyl-3,7-dimethylpurine-2,6-dione;
1-Crotyl theobromine
- CAS No.：63906-57-0
- 分子式：
C11H14N4O2
- 分子量：234.29
- 精确分子量：234.11200
- PSA：61.82000
- 分子结构式：
物化性质
- 密度：
- 1.28g/cm3
- 沸点：
- 442.4ºC at 760mmHg
- 闪点：
- 221.3ºC
- 折射率：
- 1.624
- 存储条件/存储方法：
- 库房通风低温干燥
安全信息
- 密度：
- 1.28g/cm3
- 沸点：
- 442.4ºC at 760mmHg
- 闪点：
- 221.3ºC
- 折射率：
- 1.624
- 存储条件/存储方法：
- 库房通风低温干燥
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH2360000
- CHEMICAL NAME :
- Theobromine, 1-(2'-butenyl)-
- CAS REGISTRY NUMBER :
- 63906-57-0
- LAST UPDATED :
- 199009
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C11-H14-N4-O2
- MOLECULAR WEIGHT :
- 234.29
- WISWESSER LINE NOTATION :
- T56 BN DN FNVNVJ B1 F1 H2U2
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 667 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 116,343,1956
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 230 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 116,343,1956
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 95 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 86,113,1946
