6-(4-methylpiperazin-1-yl)pyridin-3-amine hydrochloride

• ChemBase编号: 310278
• 分子式: C10H17ClN4
• 平均质量: 228.72178
• 单一同位素质量: 228.11417424
• SMILES: N1(c2ncc(N)cc2)CCN(CC1)C.Cl
• Canonical SMILES: CN1CCN(CC1)c1ccc(cn1)N.Cl
• InChI: InChI=1S/C10H16N4.ClH/c1-13-4-6-14(7-5-13)10-3-2-9(11)8-12-10;/h2-3,8H,4-7,11H2,1H3;1H
• InChIKey: UHNLDLCXUNIOJX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-(4-methylpiperazin-1-yl)pyridin-3-amine hydrochloride
• IUPAC传统名: 6-(4-methylpiperazin-1-yl)pyridin-3-amine hydrochloride
• 别名: 6-(4-methyl-1-piperazinyl)-3-pyridinamine hydrochloride

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -1.9549503
• LogD (pH = 7.4): 0.024006637
• Log P: 0.4762684
• 摩尔折射率: 59.3937 cm^3
• 极化性: 21.712683 Å^3
• 极化表面积: 45.39 Å^2