(2-methoxyethyl)(naphthalen-1-ylmethyl)amine

• ChemBase编号: 306798
• 分子式: C14H17NO
• 平均质量: 215.29088
• 单一同位素质量: 215.13101417
• SMILES: c12c(CNCCOC)cccc1cccc2
• Canonical SMILES: COCCNCc1cccc2c1cccc2
• InChI: InChI=1S/C14H17NO/c1-16-10-9-15-11-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,15H,9-11H2,1H3
• InChIKey: IIZKUOGJNGDFJJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-methoxyethyl)(naphthalen-1-ylmethyl)amine
• IUPAC传统名: (2-methoxyethyl)(naphthalen-1-ylmethyl)amine
• 别名: (2-methoxyethyl)(1-naphthylmethyl)amine

登记号

• CAS号: 884497-43-2
• MDL号: MFCD05863668

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.6768367
• LogD (pH = 7.4): 0.51861656
• Log P: 2.4740958
• 摩尔折射率: 66.7997 cm^3
• 极化性: 27.529697 Å^3
• 极化表面积: 21.26 Å^2