(2-methoxyethyl)[(4-methoxyphenyl)methyl]amine hydrochloride

• ChemBase编号: 310238
• 分子式: C11H18ClNO2
• 平均质量: 231.71912
• 单一同位素质量: 231.1026065
• SMILES: c1(ccc(cc1)CNCCOC)OC.Cl
• Canonical SMILES: COCCNCc1ccc(cc1)OC.Cl
• InChI: InChI=1S/C11H17NO2.ClH/c1-13-8-7-12-9-10-3-5-11(14-2)6-4-10;/h3-6,12H,7-9H2,1-2H3;1H
• InChIKey: QKYBSOVGBGPYPD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-methoxyethyl)[(4-methoxyphenyl)methyl]amine hydrochloride
• IUPAC传统名: (2-methoxyethyl)[(4-methoxyphenyl)methyl]amine hydrochloride
• 别名: (4-methoxybenzyl)(2-methoxyethyl)amine hydrochloride

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.7273729
• LogD (pH = 7.4): -0.2823572
• Log P: 1.3269479
• 摩尔折射率: 56.8127 cm^3
• 极化性: 22.427645 Å^3
• 极化表面积: 30.49 Å^2