4-hydrazinyl-2-methyl-8-(trifluoromethyl)quinoline hydrochloride

• ChemBase编号: 805210
• 分子式: C11H11ClF3N3
• 平均质量: 277.6733496
• 单一同位素质量: 277.05935971
• SMILES: Cl.c1c(c2c(cc1)c(cc(n2)C)NN)C(F)(F)F
• Canonical SMILES: NNc1cc(C)nc2c1cccc2C(F)(F)F.Cl
• InChI: InChI=1S/C11H10F3N3.ClH/c1-6-5-9(17-15)7-3-2-4-8(10(7)16-6)11(12,13)14;/h2-5H,15H2,1H3,(H,16,17);1H
• InChIKey: KNCCLYIYOMLJDU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-hydrazinyl-2-methyl-8-(trifluoromethyl)quinoline hydrochloride
• IUPAC传统名: 4-hydrazinyl-2-methyl-8-(trifluoromethyl)quinoline hydrochloride
• 别名: 4-HYDRAZINO-2-METHYL-8-TRIFLUOROMETHYLQUINOLINE HYDROCHLORIDE

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 2.0015776
• LogD (pH = 7.4): 2.5225854
• Log P: 2.5317616
• 摩尔折射率: 60.2512 cm^3
• 极化性: 22.262047 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%