5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one

5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one 基本信息
CAS号 102689-19-0 分子式 C17H23N3O
分子量 285.38400 精确质量  285.18400
PSA  35.91000 LogP  1.66310

基本信息 展开↓

CAS号:
102689-19-0
3D弹球模型:
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分子式:
C17H23N3O
分子量:
285.38400
中文名称:
5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one
英文名称:
5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one
中文别名:
5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one
英文别名:
5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one;
3H-Pyrazol-3-one,2,4-dihydro-5-phenyl-2-(1,2,5-trimethyl-4-piperidinyl);
2,4-Dihydro-5-phenyl-2-(1,2,5-trimethyl-4-piperidinyl)-3H-pyrazol-3-one
精确分子量/精确质量:
285.18400
极性分子表面积/PSA:
35.91000
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: JREBIAFWXAAHMJ-UHFFFAOYSA-N

物化性质展开↓

密度:
1.18g/cm3
沸点:
430.1ºC at 760mmHg
闪点:
213.9ºC
折射率:
1.616
蒸汽压:
1.33E-07mmHg at 25°C

合成路线查看所有的合成路线

  • 102689-11-2

    1-Acetyl-2-(1,2,5-trimethyl-4-piperidyl)hydrazine

  • 102689-19-0

    5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one

  • 7516-33-8

    1,2,5-三甲基-4-哌啶酮

  • 102689-19-0

    5-phenyl-2-(1,2,5-trimethylpiperidin-4-yl)-4H-pyrazol-3-one

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UR0485000
CHEMICAL NAME :
3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(1,2,5-trimethyl-4-piperidinyl )-
CAS REGISTRY NUMBER :
102689-19-0
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H23-N3-O
MOLECULAR WEIGHT :
285.43

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>450 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 19,470,1985

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  • 7516-33-8

    1,2,5-三甲基-4-哌啶酮

  • 102689-11-2

    1-Acetyl-2-(1,2,5-trimethyl-4-piperidyl)hydrazine

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