(2-chloroethyl)(methyl)amine hydrochloride

• ChemBase编号: 164250
• 分子式: C3H9Cl2N
• 平均质量: 130.01626
• 单一同位素质量: 129.01120465
• SMILES: N(CCCl)C.Cl
• Canonical SMILES: CNCCCl.Cl
• InChI: InChI=1S/C3H8ClN.ClH/c1-5-3-2-4;/h5H,2-3H2,1H3;1H
• InChIKey: FGSHJLJPYBUBHO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-chloroethyl)(methyl)amine hydrochloride
• IUPAC传统名: (2-chloroethyl)(methyl)amine hydrochloride
• 别名: 2-Chloro-N-methylethylamine Hydrochloride; 2-(Methylamino)ethyl Chloride Hydrochloride; N-Methyl-2-chloroethylamine Hydrochloride; 2-Chloro-N-methylethanamine Hydrochloride; (2-chloroethyl)(methyl)amine hydrochloride; (2-chloroethyl)methylamine hydrochloride

登记号

• CAS号: 4535-90-4
• MDL号: MFCD00050517
• PubChem SID: 162258385
• PubChem CID: 3028223

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -2.627556
• LogD (pH = 7.4): -1.2734027
• Log P: 0.47161138
• 摩尔折射率: 24.0367 cm^3
• 极化性: 9.609375 Å^3
• 极化表面积: 12.03 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: 99 - 101°C
• 疏水性(logP): 0.074

产品相关信息

• 纯度: 95%

详细说明

Toronto Research Chemicals - C365565

2-Chloro-N-methylethanamine is an aminoalkoxyimino derivative used in the preparation of amino derivatives of B-homoandrostanes and B-heteroandrostanes for the treatment of cardiovascular disorders.

参考文献

• Razdan, R., et al.: J. Med. Chem., 19, 719 (1976)