(2R)-2-(1-Pyrrolidinyl)cyclohexyl [3-(pentyloxy)phenyl]carbamate

(2R)-2-(1-Pyrrolidinyl)cyclohexyl [3-(pentyloxy)phenyl]carbamate 基本信息
CAS号 104485-01-0 分子式 C22H34N2O3
分子量 374.51700 精确质量 　374.25700
PSA 　54.29000 LogP 　5.16260
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等价的CAS号：

62674-51-5,76629-91-9,76875-69-9,104485-01-0
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目录
基本信息 物化性质 毒性

基本信息 展开↓

CAS号：
104485-01-0
3D弹球模型：
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分子式：
C22H34N2O3
分子量：
374.51700
英文名称：
(2R)-2-(1-Pyrrolidinyl)cyclohexyl [3-(pentyloxy)phenyl]carbamate
英文别名：
(2R)-2-(1-Pyrrolidinyl)cyclohexyl [3-(pentyloxy)phenyl]carbamate;
Carbamic acid,N-[3-(pentyloxy)phenyl]-, (1R,2R)-2-(1-pyrrolidinyl)cyclohexyl ester, rel-
精确分子量/精确质量：
374.25700
极性分子表面积/PSA：
54.29000
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: HVYGHQWGUABUST-SFTDATJTSA-N

物化性质展开↓

密度：
1.1g/cm3
沸点：
463.8ºC at 760mmHg
闪点：
234.3ºC
折射率：
1.551
蒸汽压：
8.82E-09mmHg at 25°C

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
FD0406500
CHEMICAL NAME :
Carbamic acid, (3-(pentyloxy)phenyl)-, 2-(1-pyrrolidinyl)cyclohexyl ester, trans-(+-)-
CAS REGISTRY NUMBER :
104485-01-0
LAST UPDATED :
199503
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C22-H34-N2-O3
MOLECULAR WEIGHT :
374.58

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 :
1030 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FAOBAS Farmaceuticky Obzor. Pharmaceutical Review. (PNS - Ustredna Expedicia a Dovoz Tlace, Gottwaldovo nam. 6, 813 81 Bratislava, Czechoslovakia) V.30- 1961- Volume(issue)/page/year: 45,355,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
70 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FAOBAS Farmaceuticky Obzor. Pharmaceutical Review. (PNS - Ustredna Expedicia a Dovoz Tlace, Gottwaldovo nam. 6, 813 81 Bratislava, Czechoslovakia) V.30- 1961- Volume(issue)/page/year: 45,355,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
283 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FAOBAS Farmaceuticky Obzor. Pharmaceutical Review. (PNS - Ustredna Expedicia a Dovoz Tlace, Gottwaldovo nam. 6, 813 81 Bratislava, Czechoslovakia) V.30- 1961- Volume(issue)/page/year: 45,355,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
11800 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FAOBAS Farmaceuticky Obzor. Pharmaceutical Review. (PNS - Ustredna Expedicia a Dovoz Tlace, Gottwaldovo nam. 6, 813 81 Bratislava, Czechoslovakia) V.30- 1961- Volume(issue)/page/year: 45,355,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
790 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FAOBAS Farmaceuticky Obzor. Pharmaceutical Review. (PNS - Ustredna Expedicia a Dovoz Tlace, Gottwaldovo nam. 6, 813 81 Bratislava, Czechoslovakia) V.30- 1961- Volume(issue)/page/year: 45,355,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FAOBAS Farmaceuticky Obzor. Pharmaceutical Review. (PNS - Ustredna Expedicia a Dovoz Tlace, Gottwaldovo nam. 6, 813 81 Bratislava, Czechoslovakia) V.30- 1961- Volume(issue)/page/year: 45,355,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
122 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FAOBAS Farmaceuticky Obzor. Pharmaceutical Review. (PNS - Ustredna Expedicia a Dovoz Tlace, Gottwaldovo nam. 6, 813 81 Bratislava, Czechoslovakia) V.30- 1961- Volume(issue)/page/year: 45,355,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10300 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FAOBAS Farmaceuticky Obzor. Pharmaceutical Review. (PNS - Ustredna Expedicia a Dovoz Tlace, Gottwaldovo nam. 6, 813 81 Bratislava, Czechoslovakia) V.30- 1961- Volume(issue)/page/year: 45,355,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>60 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FAOBAS Farmaceuticky Obzor. Pharmaceutical Review. (PNS - Ustredna Expedicia a Dovoz Tlace, Gottwaldovo nam. 6, 813 81 Bratislava, Czechoslovakia) V.30- 1961- Volume(issue)/page/year: 45,355,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2950 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FAOBAS Farmaceuticky Obzor. Pharmaceutical Review. (PNS - Ustredna Expedicia a Dovoz Tlace, Gottwaldovo nam. 6, 813 81 Bratislava, Czechoslovakia) V.30- 1961- Volume(issue)/page/year: 45,355,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
58 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FAOBAS Farmaceuticky Obzor. Pharmaceutical Review. (PNS - Ustredna Expedicia a Dovoz Tlace, Gottwaldovo nam. 6, 813 81 Bratislava, Czechoslovakia) V.30- 1961- Volume(issue)/page/year: 45,355,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
105 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FAOBAS Farmaceuticky Obzor. Pharmaceutical Review. (PNS - Ustredna Expedicia a Dovoz Tlace, Gottwaldovo nam. 6, 813 81 Bratislava, Czechoslovakia) V.30- 1961- Volume(issue)/page/year: 45,355,1976
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