2-(1,5-dimethylpyrrolidin-2-yl)ethyl 2-hydroxy-2,2-diphenylacetate

2-(1,5-dimethylpyrrolidin-2-yl)ethyl 2-hydroxy-2,2-diphenylacetate 基本信息
CAS号 102476-62-0 分子式 C22H27NO3
分子量 353.45500 精确质量  353.19900
PSA  49.77000 LogP  3.27640

基本信息 展开↓

CAS号:
102476-62-0
3D弹球模型:
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分子式:
C22H27NO3
分子量:
353.45500
英文名称:
2-(1,5-dimethylpyrrolidin-2-yl)ethyl 2-hydroxy-2,2-diphenylacetate
英文别名:
2-(1,5-dimethylpyrrolidin-2-yl)ethyl 2-hydroxy-2,2-diphenylacetate;
Benzilsaeure-[2-(1,5-dimethyl-pyrrolidin-2-yl)-aethylester];
Benzilic acid,2-(1,5-dimethyl-2-pyrrolidinyl)ethyl ester;
2-Pyrrolidinemethanol,1,5-dimethyl-,benzilate;
BRL 447;
Benzilsaeure-<2-(1.5-dimethyl-pyrrolidyl-(2))-aethylester>;
benzilic acid-[2-(1,5-dimethyl-pyrrolidin-2-yl)-ethyl ester];
Benzilsaeure-<2-(1,5-dimethyl-pyrrolidyl-(2))-ethylester>
精确分子量/精确质量:
353.19900
极性分子表面积/PSA:
49.77000
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: KFQJZNNJMLFWFC-UHFFFAOYSA-N

合成路线查看所有的合成路线

  • 600-29-3

    1,2-dimethylpyrrole

  • 102476-62-0

    2-(1,5-dimethylpyrrolidin-2-yl)ethyl 2-hydroxy-2,2-diphenylacetate

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DD3167000
CHEMICAL NAME :
Benzilic acid, 2-(1,5-dimethyl-2-pyrrolidinyl)ethyl ester
CAS REGISTRY NUMBER :
102476-62-0
BEILSTEIN REFERENCE NO. :
0313558
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C22-H27-N-O3
MOLECULAR WEIGHT :
353.50

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 :
15500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 12,447,1957

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  • 600-29-3

    1,2-dimethylpyrrole

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