cyclopropyl(4-methylpyridin-2-yl)methanamine

• ChemBase编号: 308814
• 分子式: C10H14N2
• 平均质量: 162.23156
• 单一同位素质量: 162.11569846
• SMILES: C1(CC1)C(c1nccc(c1)C)N
• Canonical SMILES: NC(c1nccc(c1)C)C1CC1
• InChI: InChI=1S/C10H14N2/c1-7-4-5-12-9(6-7)10(11)8-2-3-8/h4-6,8,10H,2-3,11H2,1H3
• InChIKey: XUWOXHQFBDZVDD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: cyclopropyl(4-methylpyridin-2-yl)methanamine
• IUPAC传统名: cyclopropyl(4-methylpyridin-2-yl)methanamine
• 别名: 1-cyclopropyl-1-(4-methyl-2-pyridinyl)methanamine

登记号

• CAS号: 1203308-27-3
• MDL号: MFCD12198082

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.4077402
• LogD (pH = 7.4): -0.02199377
• Log P: 1.4687687
• 摩尔折射率: 48.5808 cm^3
• 极化性: 19.369377 Å^3
• 极化表面积: 38.91 Å^2