cas号： 61-75-6 ，名称：溴苄乙胺的性质/作用/用途-化学加百科

溴苄乙胺

溴苄乙胺基本信息
CAS号	61-75-6	分子式	C18H24BrNO3S
分子量	414.35700	精确质量	413.06600
PSA	65.58000	LogP	5.02530

我要卖该产品我要采购该产品

充值推广查看更多供应商

基本信息制备方法与用途物化性质安全信息毒性结构与计算数据

基本信息展开↓

CAS号：: 61-75-6
3D弹球模型：: 立即前往扯扯看
分子式：: C18H24BrNO3S
分子量：: 414.35700
中文名称：: 溴苄乙胺
英文名称：: bretylium tosylate
中文别名：: 溴苄乙胺;
托西溴苄铵
英文别名：: bretylium tosylate;
(2-bromophenyl)methyl-ethyl-dimethylazanium,4-methylbenzenesulfonate;
N-(2-Bromobenzyl)-N,N-dimethylethanaminium 4-methylbenzenesulfonate
精确分子量/精确质量：: 413.06600
极性分子表面积/PSA：: 65.58000
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。
贝尔斯坦号/MDL：: MFCD00038731
EINECS：: 200-516-8
InChI：: The Key: KVWNWTZZBKCOPM-UHFFFAOYSA-M

生产制备方法及用途展开↓

制备方法

以邻甲苯胺为原料,经重氮化脱氮并用溴置换生成邻溴甲苯,在光照下和溴素溴化生成邻溴苄基溴甲烷,再用二甲胺在压力下胺化得邻溴苄基二甲胺,最后与对-甲基磺酸乙酯加成得成品。

合成制备方法

以邻甲苯胺为原料，经重氮化脱氮并用溴置换生成邻溴甲苯，在光照下和溴素溴化生成邻溴苄基溴甲烷，再用二甲胺在压力下胺化得邻溴苄基二甲胺，最后与对-甲基磺酸乙酯加成得成品。

用途简介

该品为一种肾上腺素阻滞剂。以提高心室致颤阈,故可防治心室颤动,并能直接加强心肌收缩力,改善房室传导作用,用于各种病因所致的室性心律失常,如频发性早搏、阵发性室性心动过速、心室扑动和颤动,尤其对锑剂所致阿-斯氏综合症效果较好。此外,对由于电解质紊乱、酸碱失去平衡或由于洋地黄、奎尼丁等药物中毒所引起的心律失常,也有一定的疗效。为抗心律失常的较好药物。

用途

该品为一种肾上腺素阻滞剂。以提高心室致颤阈，故可防治心室颤动，并能直接加强心肌收缩力，改善房室传导作用，用于各种病因所致的室性心律失常，如频发性早搏、阵发性室性心动过速、心室扑动和颤动，尤其对锑剂所致阿-斯氏综合症效果较好。此外，对由于电解质紊乱、酸碱失去平衡或由于洋地黄、奎尼丁等药物中毒所引起的心律失常，也有一定的疗效。为抗心律失常的较好药物。

物化性质展开↓

存储条件/存储方法：: 库房通风低温干燥
其它信息：: 1.       性状：白色结晶性粉末

2.       密度（g/mL,25/4℃）：不确定

3.       相对蒸汽密度（g/mL,空气=1）：不确定

4.       熔点（ºC）：97-99

5.       沸点（ºC,常压）：不确定

6.       沸点（ºC, 5.2kPa）：不确定

7.       折射率：不确定

8.       闪点（ºC）：不确定

9.       比旋光度（º）：不确定

10.    自燃点或引燃温度（ºC）：不确定

11.    蒸气压（kPa,25ºC）：不确定

12.    饱和蒸气压（kPa,60ºC）：不确定

13.    燃烧热（KJ/mol）：不确定

14.    临界温度（ºC）：不确定

15.    临界压力（KPa）：不确定

16.    油水（辛醇/水）分配系数的对数值：不确定

17.    爆炸上限（%,V/V）：不确定

18.    爆炸下限（%,V/V）：不确定

19.    溶解性：极易溶于水、醇、丙酮，不溶于苯、醚、乙酸乙酯、己烷

安全信息展开↓

危险类别码：: 20/21/22
安全标志：: S36:穿戴合适的防护服装。
危险标志：: Xn

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :: BO9450000

CHEMICAL NAME :: Ammonium, (o-bromobenzyl)ethyldimethyl-, p-toluenesulfonate

CAS REGISTRY NUMBER :: 61-75-6

LAST UPDATED :: 199603

DATA ITEMS CITED :: 15

MOLECULAR FORMULA :: C11-H17-Br-N.C7-H7-O3-S

MOLECULAR WEIGHT :: 414.40

WISWESSER LINE NOTATION :: ER B1K2&1&1 &OSWR D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 81500 ug/kg/15M-C

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay) Behavioral - coma Vascular - BP lowering not characterized in autonomic section

REFERENCE :: AJEMEN American Journal of Emergency Medicine. (WB Saunders, Philadelphia, PA) V.1- 1983- Volume(issue)/page/year: 13,177,1995

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 57 mg/kg

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

REFERENCE :: PHMGBN Pharmacology: International Journal of Experimental and Clinical Pharmacology. (S. Karger AG, Postfach CH-4009 Basel, Switzerland) V.1- 1968- Volume(issue)/page/year: 21,256,1980

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 17 mg/kg

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

REFERENCE :: PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,148,1979

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

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 84 mg/kg

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

REFERENCE :: PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,148,1979

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 400 mg/kg

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

REFERENCE :: BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 14,536,1959

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 39 mg/kg

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

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 155,69,1965

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 72 mg/kg

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

REFERENCE :: BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 14,536,1959

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 14 mg/kg

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

REFERENCE :: PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,148,1979

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

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 64 mg/kg

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

REFERENCE :: PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,148,1979

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 43 mg/kg

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

REFERENCE :: PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,148,1979

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

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 100 mg/kg

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

REFERENCE :: PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,148,1979

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 30 mg/kg

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

REFERENCE :: PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,148,1979

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

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 160 mg/kg

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

REFERENCE :: PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,148,1979 *** REVIEWS *** TOXICOLOGY REVIEW PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,148,1979 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5621 No. of Facilities: 51 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 1056 (estimated) No. of Female Employees: 657 (estimated)

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:0

3.氢键受体数量:3

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积65.6

7.重原子数量:24

8.表面电荷:0

9.复杂度:349

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