methyl[(3-methylpyridin-4-yl)methyl]amine

• ChemBase编号: 307008
• 分子式: C8H12N2
• 平均质量: 136.19428
• 单一同位素质量: 136.10004839
• SMILES: n1cc(c(CNC)cc1)C
• Canonical SMILES: CNCc1ccncc1C
• InChI: InChI=1S/C8H12N2/c1-7-5-10-4-3-8(7)6-9-2/h3-5,9H,6H2,1-2H3
• InChIKey: RJVPFVJLMPYTBC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl[(3-methylpyridin-4-yl)methyl]amine
• IUPAC传统名: methyl[(3-methylpyridin-4-yl)methyl]amine
• 别名: N-methyl-1-(3-methylpyridin-4-yl)methanamine

登记号

• CAS号: 915919-59-4
• MDL号: MFCD08059803

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.3299248
• LogD (pH = 7.4): -1.1460687
• Log P: 0.8273436
• 摩尔折射率: 42.1903 cm^3
• 极化性: 16.417023 Å^3
• 极化表面积: 24.92 Å^2