methyl (1S,3S,4S,5R)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-4-carboxylate

methyl (1S,3S,4S,5R)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-4-carboxylate 基本信息
CAS号 50372-80-0 分子式 C20H27NO8
分子量 409.43000 精确质量  409.17400
PSA  144.60000 LogP  0.24120

等价的CAS号:

50370-54-2,50372-80-0,50583-05-6,57458-42-1,74163-83-0,74163-84-1,127379-25-3,127379-26-4

基本信息 展开↓

CAS号:
50372-80-0
3D弹球模型:
立即前往扯扯看
分子式:
C20H27NO8
分子量:
409.43000
中文名称:
methyl (1S,3S,4S,5R)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-4-carboxylate
英文名称:
methyl (1S,3S,4S,5R)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-4-carboxylate
中文别名:
methyl (1S,3S,4S,5R)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-4-carboxylate
英文别名:
methyl (1S,3S,4S,5R)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-4-carboxylate;
8-Azabicyclo(3.2.1)octane-2-carboxylic acid,8-methyl-3-phenyl-,methyl ester,(1R-(exo,exo));
WIN35,065-2;
methyl <1R-(exo,exo)>-8-methyl-3-phenyl-8-azabicyclo<3.2.1>octane-2-carboxylate;
[1R-(exo,exo)]-8-Methyl-3-phenyl-8-azabicyclo[3.2.1]octane-2-carboxylic Acid Methyl Ester
精确分子量/精确质量:
409.17400
极性分子表面积/PSA:
144.60000
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: OMBOXYLBBHNWHL-QPSCCSFWSA-N

物化性质展开↓

密度:
1.099g/cm3
沸点:
350.2ºC at 760 mmHg
闪点:
121.3ºC
折射率:
1.54

安全信息展开↓

海关代码:
2933990090

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CL5603110
CHEMICAL NAME :
8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 8-methyl-3-phenyl-, methyl ester, (1R-(exo,exo))-
CAS REGISTRY NUMBER :
50372-80-0
LAST UPDATED :
199009
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H21-N-O2
MOLECULAR WEIGHT :
259.38

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
63 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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: 16,1260,1973

海关数据查看详细

中国海关编码:2933990090

概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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