(5,6-dimethylpyridin-3-yl)methanamine

• ChemBase编号: 309005
• 分子式: C8H12N2
• 平均质量: 136.19428
• 单一同位素质量: 136.10004839
• SMILES: n1c(c(cc(c1)CN)C)C
• Canonical SMILES: NCc1cnc(c(c1)C)C
• InChI: InChI=1S/C8H12N2/c1-6-3-8(4-9)5-10-7(6)2/h3,5H,4,9H2,1-2H3
• InChIKey: OGPPCWKRQPEFRP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (5,6-dimethylpyridin-3-yl)methanamine
• IUPAC传统名: (5,6-dimethylpyridin-3-yl)methanamine
• 别名: 1-(5,6-dimethyl-3-pyridinyl)methanamine

登记号

• CAS号: 856930-04-6
• MDL号: MFCD14702867

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.4595313
• LogD (pH = 7.4): -1.3114872
• Log P: 0.52613336
• 摩尔折射率: 42.0072 cm^3
• 极化性: 16.337736 Å^3
• 极化表面积: 38.91 Å^2