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1024-65-3

1024-65-3结构式

常用中文名：1-Isoamyl theobromine
常用英文名：1-Isoamyl theobromine
CAS号：1024-65-3
分子式：C₁₂H₁₈N₄O₂
分子量：250.29700
发布时间：2016-03-23 05:08:16
更新时间：2024-02-03 11:29:40

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英文名	3,7-dimethyl-1-(3-methylbutyl)purine-2,6-dione
英文别名	1-Isoamyl-3,7-dimethylxanthine Theobromine,1-isopentyl 1-Isoamyltheobromine

密度	1.27g/cm3
沸点	436.1ºC at 760mmHg
分子式	C₁₂H₁₈N₄O₂
分子量	250.29700
闪点	217.6ºC
精确质量	250.14300
PSA	61.82000
LogP	0.47980
蒸汽压	8.29E-08mmHg at 25°C
折射率	1.613

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH2390000

CHEMICAL NAME :: Theobromine, 1-isopentyl-

CAS REGISTRY NUMBER :: 1024-65-3

LAST UPDATED :: 199009

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C12-H18-N4-O2

MOLECULAR WEIGHT :: 250.34

WISWESSER LINE NOTATION :: T56 BN DN FNVNVJ B1 F1 HY2&2

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 :: 772 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 :: 222 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 :: 200 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