(6-methylquinolin-5-yl)methanamine

• ChemBase编号: 309241
• 分子式: C11H12N2
• 平均质量: 172.22638
• 单一同位素质量: 172.10004839
• SMILES: c1(c2c(nccc2)ccc1C)CN
• Canonical SMILES: NCc1c(C)ccc2c1cccn2
• InChI: InChI=1S/C11H12N2/c1-8-4-5-11-9(10(8)7-12)3-2-6-13-11/h2-6H,7,12H2,1H3
• InChIKey: HEDUOIPDMFNVLB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (6-methylquinolin-5-yl)methanamine
• IUPAC传统名: (6-methylquinolin-5-yl)methanamine
• 别名: 1-(6-methyl-5-quinolinyl)methanamine

登记号

• CAS号: 1211430-40-8
• MDL号: MFCD15204348

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.2312312
• LogD (pH = 7.4): -0.41208205
• Log P: 1.7700903
• 摩尔折射率: 53.4939 cm^3
• 极化性: 22.18762 Å^3
• 极化表面积: 38.91 Å^2