4-hydrazinyl-7,8-dimethylquinoline hydrochloride

• ChemBase编号: 805297
• 分子式: C11H14ClN3
• 平均质量: 223.70196
• 单一同位素质量: 223.08762514
• SMILES: Cl.c1(c(c2c(cc1)c(ccn2)NN)C)C
• Canonical SMILES: NNc1ccnc2c1ccc(c2C)C.Cl
• InChI: InChI=1S/C11H13N3.ClH/c1-7-3-4-9-10(14-12)5-6-13-11(9)8(7)2;/h3-6H,12H2,1-2H3,(H,13,14);1H
• InChIKey: VATFFGITQUGJCZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-hydrazinyl-7,8-dimethylquinoline hydrochloride
• IUPAC传统名: 4-hydrazinyl-7,8-dimethylquinoline hydrochloride
• 别名: 7,8-DIMETHYL-4-HYDRAZINOQUINOLINE HYDROCHLORIDE

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 1.3330545
• LogD (pH = 7.4): 2.4824505
• Log P: 2.5493858
• 摩尔折射率: 59.7684 cm^3
• 极化性: 23.088781 Å^3
• 极化表面积: 50.94 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%