21609-71-2

• 常用中文名：4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzothiepin-5-one,chloride
• 常用英文名：4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzothiepin-5-one,chloride
• CAS号：21609-71-2
• 分子式：C₁₆H₂₂ClNOS
• 分子量：311.87000
• 发布时间：2017-09-17 03:26:46
• 更新时间：2025-08-20 19:24:13

名称

• 英文名: 4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzothiepin-5-one,chloride
• 英文别名: 1-BENZOTHIEPIN-5(2H)-ONE,3,4-DIHYDRO-4-(PIPERIDINOMETHYL)-,HYDROCHLORIDE; 1-[(5-oxo-2,3,4,5-tetrahydro-1-benzothiepin-4-yl)methyl]piperidinium chloride; 4-(Piperidinomethyl)-2,3,4,5-tetrahydro-1-benzothiepin-5-one hydrochloride; 3,4-Dihydro-4-(piperidinomethyl)-1-benzothiepin-5(2H)-one hydrochloride; 4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzothiepin-5-one chloride

物化性质

• 分子式: C₁₆H₂₂ClNOS
• 分子量: 311.87000
• 精确质量: 311.11100
• PSA: 45.61000
• LogP: 4.20710
• 蒸汽压: 4.17E-07mmHg at 25°C

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : DL8886000 CHEMICAL NAME : 1-Benzothiepin-5(2H)-one, 3,4-dihydro-4-(piperidinomethyl)-, hydrochloride CAS REGISTRY NUMBER : 21609-71-2 LAST UPDATED : 198612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C16-H21-N-O-S.Cl-H MOLECULAR WEIGHT : 311.90 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 25 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CCCCAK Collection of Czechoslovak Chemical Communications. (Academic Press Inc. Ltd., 24-28 Oval Rd., London NW1 7DX, UK) V.1- 1929- Volume(issue)/page/year: 33,4315,1968