N-[3-[(2-hydroxyphenyl)methylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide

N-[3-[(2-hydroxyphenyl)methylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide 基本信息
CAS号 102131-61-3 分子式 C19H29N3O2
分子量 331.45200 精确质量  331.22600
PSA  76.88000 LogP  3.63490

基本信息 展开↓

CAS号:
102131-61-3
3D弹球模型:
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分子式:
C19H29N3O2
分子量:
331.45200
英文名称:
N-[3-[(2-hydroxyphenyl)methylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
英文别名:
N-[3-[(2-hydroxyphenyl)methylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;
1H-Pyrrole-3-carboxamide,2,5-dihydro-N-(3-(((2-hydroxyphenyl)methyl)amino)propyl)-2,2,5,5-tetramethyl
精确分子量/精确质量:
331.22600
极性分子表面积/PSA:
76.88000
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: TXOPBDAHVJHDEN-UHFFFAOYSA-N

合成路线查看所有的合成路线

  • 90-02-8

    2-羟基苯甲醛

  • 102131-61-3

    N-[3-[(2-hydroxyphenyl)methylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide

  • 19971-12-1

    3,5-dibromo-2,2,6,6-tetramethylpiperidin-4-one,hydrobromide

  • 102131-61-3

    N-[3-[(2-hydroxyphenyl)methylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UX9365100
CHEMICAL NAME :
1H-Pyrrole-3-carboxamide, 2,5-dihydro-N-(3-(((2-hydroxyphenyl)methyl)amino)prop yl)-2,2,5,5- tetramethyl-
CAS REGISTRY NUMBER :
102131-61-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H29-N3-O2
MOLECULAR WEIGHT :
331.51

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 :
28 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: 29,1138,1986

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