cas号： 1164-38-1 ，名称：氯苯醇酸铵乙酯盐酸盐的性质/作用/用途-化学加百科

氯苯醇酸铵乙酯盐酸盐

氯苯醇酸铵乙酯盐酸盐基本信息
CAS号	1164-38-1	分子式	C20H26ClNO3
分子量	363.87800	精确质量	363.16000
PSA	46.53000	LogP	-0.43400

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基本信息合成路线毒性结构与计算数据上下游

基本信息展开↓

CAS号：: 1164-38-1
3D弹球模型：: 立即前往扯扯看
分子式：: C20H26ClNO3
分子量：: 363.87800
中文名称：: 氯苯醇酸铵乙酯盐酸盐
英文名称：: ethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium,chloride
中文别名：: 氯苯醇酸铵乙酯盐酸盐;
ethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium,chloride
英文别名：: ethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium,chloride;
Lachesine chloride;
Ethyl(2-hydroxyethyl)dimethylammonium benzilate chloride;
Laxesin;
Aethyl-(2-benziloyloxy-aethyl)-dimethyl-ammonium,Chlorid;
E-3;
Lachesin;
Benzilyloxyethyldimethylethylammonium chloride;
2-Benziloyloxyethylethyldimethylammonium chloride;
EINECS 214-610-1;
ethyl-(2-benziloyloxy-ethyl)-dimethyl-ammonium,chloride;
Lachesine
精确分子量/精确质量：: 363.16000
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：: 214-610-1
InChI：: The Key: TVCAZGSWNBZVJN-UHFFFAOYSA-M

合成路线查看所有的合成路线

75-00-3

乙基氯
+
968-46-7

2-(dimethylamino)ethyl 2-hydroxy-2,2-diphenylacetate
→
1164-38-1

氯苯醇酸铵乙酯盐酸盐

5928-68-7

乙酸,[[[2-[[2-[[(氨基羰基)氧代]甲基]-4-羰基-1-硫代-3-吖丁啶基]氨基]-1-(2-氨基-4-噻唑基)-2-羰基亚乙基]氨基]氧代]-,[2a,3a(Z)]- (9CI)
→
1164-38-1

氯苯醇酸铵乙酯盐酸盐

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :: BQ5600000

CHEMICAL NAME :: Ammonium, ethyl(2-hydroxyethyl)dimethyl-, chloride, benzilate

CAS REGISTRY NUMBER :: 1164-38-1

LAST UPDATED :: 198706

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C20-H26-N-O3.Cl

MOLECULAR WEIGHT :: 363.92

WISWESSER LINE NOTATION :: QXR&R&VO2K2&1&1 &G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1 gm/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation)

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 85,85,1945

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 40 gm/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation)

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 85,85,1945

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 160 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation)

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 85,85,1945

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:8

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:25

8.表面电荷:0

9.复杂度:378

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:0

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

上下游相关产品

上游产品

5928-68-7

乙酸,[[[2-[[2-[[(氨基羰基)氧代]甲基]-4-羰基-1-硫代-3-吖丁啶基]氨基]-1-(2-氨基-4-噻唑基)-2-羰基亚乙基]氨基]氧代]-,[2a,3a(Z)]- (9CI)
75-00-3

乙基氯
968-46-7

2-(dimethylamino)ethyl 2-hydroxy-2,2-diphenylacetate