(2-chloroethyl)dimethylamine hydrochloride

• ChemBase编号: 68444
• 分子式: C4H11Cl2N
• 平均质量: 144.04284
• 单一同位素质量: 143.02685472
• SMILES: N(C)(C)CCCl.Cl
• Canonical SMILES: ClCCN(C)C.Cl
• InChI: InChI=1S/C4H10ClN.ClH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H
• InChIKey: LQLJZSJKRYTKTP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-chloroethyl)dimethylamine hydrochloride
• IUPAC传统名: dimethylaminoethyl chloride hydrochloride
• 别名: 1-氯-2-二甲基氨基乙烷 盐酸盐; 2-(二甲基氨基)乙基氯 盐酸盐; N-(2-氯乙基)二甲胺 盐酸盐; 2-氯-N,N-二甲基乙胺 盐酸盐; 2-二甲基氨乙基氯 盐酸盐; 2-Chloroethyldimethylamine hydrochloride; 1-Chloro-2-dimethylaminoethane hydrochloride; 2-(Dimethylamino)ethyl chloride hydrochloride; N-(2-Chloroethyl)dimethylamine hydrochloride; 2-Chloro-N,N-dimethylethylamine hydrochloride; 2-chloro-N,N-dimethylethanamine hydrochloride; β-CHLOROETHYLDIMETHYLAMINE HYDROCHLORIDE; 1-Chloro-2-(dimethylamino)ethane hydrochloride; N-(2-Chloroethyl)-N,N-dimethylammonium chloride; 2-Dimethylaminoethyl chloride hydrochloride; N-(2-chloroethyl)-N,N-dimethylamine hydrochloride

登记号

• CAS号: 4584-46-7; 175135-09-8
• EC号: 224-970-1
• MDL号: MFCD00012516
• Beilstein号: 3591234
• PubChem SID: 162034175; 24893432; 24854624
• PubChem CID: 11636816

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -1.5140041
• LogD (pH = 7.4): 0.23573531
• Log P: 0.8546593
• 摩尔折射率: 29.3314 cm^3
• 极化性: 11.444192 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 201-204 °C; 201-204 °C(lit.); 204 - 206°C; 205-208°C
• 疏水性(logP): 0.61

安全信息

• 保存注意事项: Hygroscopic; IRRITANT
• RTECS编号: KQ9020000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2811; UN2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 22-24-36/37/38
• 安全公开号: 20-26-27-36/37-45-60; 26-36/37-45
• TSCA收录: false; 是
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H311-H315-H319-H335
• GHS警示性声明: P261-P280-P301 + P310-P305 + P351 + P338-P312; P261-P301+P310-P305+P351+P338-P361-P405-P501A
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

产品相关信息

• 纯度: ≥98.0% (AT); 95%; 95+%; 98%; 98+%; 99%
• 级别: purum
• 成盐信息: HCl
• 线性分子式: (CH3)2NCH2CH2Cl · HCl

详细说明

MP Biomedicals - 05215815

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D141208

包装
100, 500 g in poly bottle
5 g in glass bottle