9-[(2-fluorophenyl)methyl]-N-methylpurin-6-amine

9-[(2-fluorophenyl)methyl]-N-methylpurin-6-amine 基本信息
CAS号 101155-02-6 分子式 C13H12FN5
分子量 257.26600 精确质量  257.10800
PSA  55.63000 LogP  2.12840

基本信息 展开↓

CAS号:
101155-02-6
3D弹球模型:
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分子式:
C13H12FN5
分子量:
257.26600
中文名称:
9-[(2-fluorophenyl)methyl]-N-methylpurin-6-amine
英文名称:
9-[(2-fluorophenyl)methyl]-N-methylpurin-6-amine
中文别名:
9-[(2-fluorophenyl)methyl]-N-methylpurin-6-amine
英文别名:
9-[(2-fluorophenyl)methyl]-N-methylpurin-6-amine;
BW-A 78U
精确分子量/精确质量:
257.10800
极性分子表面积/PSA:
55.63000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: MZABAGHILOTTOD-UHFFFAOYSA-N

物化性质展开↓

密度:
1.36g/cm3
沸点:
477.9ºC at 760mmHg
闪点:
242.8ºC
蒸汽压:
2.69E-09mmHg at 25°C

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO7440800
CHEMICAL NAME :
9H-Purin-6-amine, 9-((2-fluorophenyl)methyl)-N-methyl-
CAS REGISTRY NUMBER :
101155-02-6
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C13-H12-F-N5
MOLECULAR WEIGHT :
257.30

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Behavioral - ataxia
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: 29,1133,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JHTCAD Journal of Heterocyclic Chemistry. (Hetero Corporation, POB 16000 MH, Tampa, FL 33687) Vol.1- 1964- Volume(issue)/page/year: 25,1255,1988
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
120 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JHTCAD Journal of Heterocyclic Chemistry. (Hetero Corporation, POB 16000 MH, Tampa, FL 33687) Vol.1- 1964- Volume(issue)/page/year: 25,1255,1988
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