[2-(dimethylamino)ethyl][(4-methylphenyl)methyl]amine

• ChemBase编号: 312537
• 分子式: C12H20N2
• 平均质量: 192.3006
• 单一同位素质量: 192.16264865
• SMILES: N(CCNCc1ccc(cc1)C)(C)C
• Canonical SMILES: CN(CCNCc1ccc(cc1)C)C
• InChI: InChI=1S/C12H20N2/c1-11-4-6-12(7-5-11)10-13-8-9-14(2)3/h4-7,13H,8-10H2,1-3H3
• InChIKey: HOBWUMPLORYSJV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-(dimethylamino)ethyl][(4-methylphenyl)methyl]amine
• IUPAC传统名: [2-(dimethylamino)ethyl][(4-methylphenyl)methyl]amine
• 别名: N,N-dimethyl-N'-(4-methylbenzyl)-1,2-ethanediamine

登记号

• CAS号: 65875-43-6
• MDL号: MFCD06011674

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.1917877
• LogD (pH = 7.4): -0.04315616
• Log P: 2.0636606
• 摩尔折射率: 62.3663 cm^3
• 极化性: 24.416113 Å^3
• 极化表面积: 15.27 Å^2