1-Isoamyl theobromine

1-Isoamyl theobromine名称

[ CAS 号 ]:
1024-65-3

[ 英文名 ]:
1-Isoamyl theobromine

[英文别名 ]:

1-Isoamyl theobromine物理化学性质

[ 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

1-Isoamyl theobromine毒性和生态

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
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