cas号： 1050-48-2 ，名称：苯咯溴铵的性质/作用/用途-化学加百科

苯咯溴铵

苯咯溴铵基本信息
CAS号	1050-48-2	分子式	C22H28NO3.Br
分子量	434.37480	精确质量	433.12526
PSA	46.53000	LogP	0.05740

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基本信息安全信息毒性海关数据结构与计算数据

基本信息展开↓

CAS号：: 1050-48-2
3D弹球模型：: 立即前往扯扯看
分子式：: C22H28NO3.Br
分子量：: 434.37480
中文名称：: 苯咯溴铵
英文名称：: Pyrrolidinium, 1,1-diethyl-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-, bromide (1:1)
中文别名：: 苯咯溴铵
英文别名：: Pyrrolidinium, 1,1-diethyl-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-, bromide (1:1);
1,1-Diethyl-3-hydroxypyrrolidinium bromide benzilate (6CI);
Pyrrolidinium, 1,1-diethyl-3-[(hydroxydiphenylacetyl)oxy]-, bromide (9CI);
Pyrrolidinium, 1,1-diethyl-3-hydroxy-, bromide, benzilate (8CI);
1-Ethyl-3-pyrrolidinyl benzilate ethylbromide;
Benzilonium bromide;
C.I. 379;
Minelcin;
Minelco;
Minelsin;
N-Ethyl-3-pyrrolidinyl benzilate ethylbromide;
NSC 107530;
Ortyn;
Ortyn retard;
PU 239;
Partyn;
Pirbenina;
Portyn;
Pyrbenine;
Ulcoban
精确分子量/精确质量：: 433.12526
极性分子表面积/PSA：: 46.53000
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。
EINECS：: 213-885-5
InChI：: The Key: GGMMWVHTLAENAS-UHFFFAOYSA-M

安全信息展开↓

海关代码：: 2933990090

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UY4330000

CHEMICAL NAME :: Pyrrolidinium, 1,1-diethyl-3-hydroxy-, bromide, benzilate

CAS REGISTRY NUMBER :: 1050-48-2

LAST UPDATED :: 198612

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C22-H28-N-O3.Br

MOLECULAR WEIGHT :: 434.42

WISWESSER LINE NOTATION :: T5KTJ A2 A2 COVXQR&R &Q &E

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 :: 760 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 19,673,1964

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 363 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 19,673,1964

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 11200 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 19,673,1964

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 138 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 19,673,1964

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%

分子结构与计算化学数据展开↓

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:1

3.氢键受体数量:4

4.可旋转化学键数量:7

5.互变异构体数量:无

6.拓扑分子极性表面积:46.5

7.重原子数量:27

8.表面电荷:0

9.复杂度:444

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:1

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:2