(4E)-5-methyl-2-phenyl-4-(piperidin-1-ylmethylidene)pyrazol-3-one

(4E)-5-methyl-2-phenyl-4-(piperidin-1-ylmethylidene)pyrazol-3-one 基本信息
CAS号 5496-04-8 分子式 C16H19N3O
分子量 269.34200 精确质量 　269.15300
PSA 　35.91000 LogP 　2.21740
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目录
基本信息 物化性质 安全信息 毒性 海关数据 上下游

基本信息 展开↓

CAS号：
5496-04-8
3D弹球模型：
立即前往扯扯看
分子式：
C16H19N3O
分子量：
269.34200
英文名称：
(4E)-5-methyl-2-phenyl-4-(piperidin-1-ylmethylidene)pyrazol-3-one
英文别名：
(4E)-5-methyl-2-phenyl-4-(piperidin-1-ylmethylidene)pyrazol-3-one;
5-methyl-2-phenyl-4-piperidin-1-ylmethylene-2,4-dihydro-pyrazol-3-one;
5-Oxo-3-methyl-4-piperidinomethylen-1-phenyl-4,5-dihydro-pyrazol;
AmbscPOD_15/0510;
1-Phenyl-3-methyl-4-piperidinomethylenpyrazolon-5;
3-Methyl-4-piperidinomethylen-1-phenyl-pyrazolon-(5);
2,4-dihydro-5-methyl-2-phenyl-4-(1-piperidinylmethylene)-3H-pyrazol-3-one;
3-Methyl-1-phenyl-4-(piperidinomethylene)-2-pyrazolin-5-one;
1-phenyl-3-methyl-4-piperidinomethylene-5-pyrazolone;
2-Pyrazolin-5-one,3-methyl-1-phenyl-4-(piperidinomethylene)
精确分子量/精确质量：
269.15300
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: CPRWWCPKEGAJNJ-UHFFFAOYSA-N

物化性质展开↓

密度：
1.18g/cm3
沸点：
375.5ºC at 760 mmHg
闪点：
180.9ºC
折射率：
1.623

安全信息展开↓

海关代码：
2933990090

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ9651000
CHEMICAL NAME :
2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-(piperidinomethylene)-
CAS REGISTRY NUMBER :
5496-04-8
BEILSTEIN REFERENCE NO. :
0616565
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C16-H19-N3-O
MOLECULAR WEIGHT :
269.38
WISWESSER LINE NOTATION :
T6NTJ A1U- DT5NNVYJ BR& E1

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 :
>4 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CHTPBA Chimica Therapeutica. (Paris, France) V.1-8, 1965-73. For publisher information, see EJMCA5. Volume(issue)/page/year: 3,17,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CHTPBA Chimica Therapeutica. (Paris, France) V.1-8, 1965-73. For publisher information, see EJMCA5. Volume(issue)/page/year: 3,17,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - analgesia Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 19,1721,1969

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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