8-ethyl-4-hydrazinyl-2-methylquinoline hydrochloride

• ChemBase编号: 805338
• 分子式: C12H16ClN3
• 平均质量: 237.72854
• 单一同位素质量: 237.10327521
• SMILES: Cl.c1c(c2c(cc1)c(cc(n2)C)NN)CC
• Canonical SMILES: CCc1cccc2c1nc(C)cc2NN.Cl
• InChI: InChI=1S/C12H15N3.ClH/c1-3-9-5-4-6-10-11(15-13)7-8(2)14-12(9)10;/h4-7H,3,13H2,1-2H3,(H,14,15);1H
• InChIKey: POIHEHOSRPIYIC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-ethyl-4-hydrazinyl-2-methylquinoline hydrochloride
• IUPAC传统名: 8-ethyl-4-hydrazinyl-2-methylquinoline hydrochloride
• 别名: 8-ETHYL-4-HYDRAZINO-2-METHYLQUINOLINE HYDROCHLORIDE

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 1.1124159
• LogD (pH = 7.4): 2.5055134
• Log P: 2.6119032
• 摩尔折射率: 63.9197 cm^3
• 极化性: 24.935392 Å^3
• 极化表面积: 50.94 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%