[(3-methoxyphenyl)methyl](methyl)amine hydrochloride

• ChemBase编号: 310239
• 分子式: C9H14ClNO
• 平均质量: 187.66656
• 单一同位素质量: 187.07639175
• SMILES: c1c(OC)cccc1CNC.Cl
• Canonical SMILES: CNCc1cccc(c1)OC.Cl
• InChI: InChI=1S/C9H13NO.ClH/c1-10-7-8-4-3-5-9(6-8)11-2;/h3-6,10H,7H2,1-2H3;1H
• InChIKey: ULXZDEBCLVOAAI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(3-methoxyphenyl)methyl](methyl)amine hydrochloride
• IUPAC传统名: [(3-methoxyphenyl)methyl](methyl)amine hydrochloride
• 别名: (3-methoxybenzyl)methylamine hydrochloride

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.8016533
• LogD (pH = 7.4): -0.7208889
• Log P: 1.3739234
• 摩尔折射率: 45.7692 cm^3
• 极化性: 18.066748 Å^3
• 极化表面积: 21.26 Å^2