(4-methoxyphenyl)(pyridin-4-yl)methanamine

• ChemBase编号: 306699
• 分子式: C13H14N2O
• 平均质量: 214.26306
• 单一同位素质量: 214.11061308
• SMILES: C(c1ccc(cc1)OC)(c1ccncc1)N
• Canonical SMILES: COc1ccc(cc1)C(c1ccncc1)N
• InChI: InChI=1S/C13H14N2O/c1-16-12-4-2-10(3-5-12)13(14)11-6-8-15-9-7-11/h2-9,13H,14H2,1H3
• InChIKey: WOZWLHWRZZTXMV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (4-methoxyphenyl)(pyridin-4-yl)methanamine
• IUPAC传统名: (4-methoxyphenyl)(pyridin-4-yl)methanamine
• 别名: 1-(4-methoxyphenyl)-1-pyridin-4-ylmethanamine

登记号

• CAS号: 889939-88-2
• MDL号: MFCD07186328

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.3488926
• LogD (pH = 7.4): 0.07477038
• Log P: 1.5079107
• 摩尔折射率: 63.1205 cm^3
• 极化性: 24.916773 Å^3
• 极化表面积: 48.14 Å^2