[(3-ethoxy-4-methoxyphenyl)methyl](methyl)amine

• ChemBase编号: 311021
• 分子式: C11H17NO2
• 平均质量: 195.25818
• 单一同位素质量: 195.12592879
• SMILES: c1(c(ccc(c1)CNC)OC)OCC
• Canonical SMILES: CNCc1ccc(c(c1)OCC)OC
• InChI: InChI=1S/C11H17NO2/c1-4-14-11-7-9(8-12-2)5-6-10(11)13-3/h5-7,12H,4,8H2,1-3H3
• InChIKey: SVYAPZZAANWWGB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(3-ethoxy-4-methoxyphenyl)methyl](methyl)amine
• IUPAC传统名: [(3-ethoxy-4-methoxyphenyl)methyl](methyl)amine
• 别名: (3-ethoxy-4-methoxybenzyl)methylamine

登记号

• CAS号: 893581-70-9
• MDL号: MFCD07405838

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.5894876
• LogD (pH = 7.4): -0.44344178
• Log P: 1.57306
• 摩尔折射率: 56.981 cm^3
• 极化性: 22.412249 Å^3
• 极化表面积: 30.49 Å^2