(2-methoxyethyl)[2-(naphthalen-2-yloxy)ethyl]amine

• ChemBase编号: 311175
• 分子式: C15H19NO2
• 平均质量: 245.31686
• 单一同位素质量: 245.14157885
• SMILES: c12cc(ccc1cccc2)OCCNCCOC
• Canonical SMILES: COCCNCCOc1ccc2c(c1)cccc2
• InChI: InChI=1S/C15H19NO2/c1-17-10-8-16-9-11-18-15-7-6-13-4-2-3-5-14(13)12-15/h2-7,12,16H,8-11H2,1H3
• InChIKey: ISHQWOGFBCLJEZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-methoxyethyl)[2-(naphthalen-2-yloxy)ethyl]amine
• IUPAC传统名: (2-methoxyethyl)[2-(naphthalen-2-yloxy)ethyl]amine
• 别名: (2-methoxyethyl)[2-(2-naphthyloxy)ethyl]amine

登记号

• CAS号: 420100-59-0
• MDL号: MFCD02633010

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.6228261
• LogD (pH = 7.4): 0.8797948
• Log P: 2.3936725
• 摩尔折射率: 72.7393 cm^3
• 极化性: 29.99151 Å^3
• 极化表面积: 30.49 Å^2