4-hydrazinyl-7-methoxy-2-methylquinoline hydrochloride

• ChemBase编号: 805216
• 分子式: C11H14ClN3O
• 平均质量: 239.70136
• 单一同位素质量: 239.08253976
• SMILES: Cl.c1(cc2c(cc1)c(cc(n2)C)NN)OC
• Canonical SMILES: COc1ccc2c(c1)nc(cc2NN)C.Cl
• InChI: InChI=1S/C11H13N3O.ClH/c1-7-5-11(14-12)9-4-3-8(15-2)6-10(9)13-7;/h3-6H,12H2,1-2H3,(H,13,14);1H
• InChIKey: KXOJUIVVCICQSC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-hydrazinyl-7-methoxy-2-methylquinoline hydrochloride
• IUPAC传统名: 4-hydrazinyl-7-methoxy-2-methylquinoline hydrochloride
• 别名: 4-HYDRAZINO-7-METHOXY-2-METHYLQUINOLINE HYDROCHLORIDE

理论计算性质

• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -0.15500842
• LogD (pH = 7.4): 1.3300234
• Log P: 1.4962419
• 摩尔折射率: 60.7407 cm^3
• 极化性: 23.796984 Å^3
• 极化表面积: 60.17 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%