6-ethyl-4-hydrazinyl-2-methylquinoline hydrochloride

• ChemBase编号: 805287
• 分子式: C12H16ClN3
• 平均质量: 237.72854
• 单一同位素质量: 237.10327521
• SMILES: Cl.c1cc2c(cc1CC)c(cc(n2)C)NN
• Canonical SMILES: NNc1cc(C)nc2c1cc(CC)cc2.Cl
• InChI: InChI=1S/C12H15N3.ClH/c1-3-9-4-5-11-10(7-9)12(15-13)6-8(2)14-11;/h4-7H,3,13H2,1-2H3,(H,14,15);1H
• InChIKey: ABGVNZWJYMIAFN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-ethyl-4-hydrazinyl-2-methylquinoline hydrochloride
• IUPAC传统名: 6-ethyl-4-hydrazinyl-2-methylquinoline hydrochloride
• 别名: 6-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): 1.0058856
• LogD (pH = 7.4): 2.466934
• Log P: 2.6119032
• 摩尔折射率: 63.9197 cm^3
• 极化性: 24.93374 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%