4-hydrazinyl-6-(trifluoromethyl)quinoline hydrochloride

• ChemBase编号: 813203
• 分子式: C10H9ClF3N3
• 平均质量: 263.6467696
• 单一同位素质量: 263.04370964
• SMILES: Cl.c1cc2c(cc1C(F)(F)F)c(ccn2)NN
• Canonical SMILES: NNc1ccnc2c1cc(cc2)C(F)(F)F.Cl
• InChI: InChI=1S/C10H8F3N3.ClH/c11-10(12,13)6-1-2-8-7(5-6)9(16-14)3-4-15-8;/h1-5H,14H2,(H,15,16);1H
• InChIKey: SWXAHLBYQCKSGY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-hydrazinyl-6-(trifluoromethyl)quinoline hydrochloride
• IUPAC传统名: 4-hydrazinyl-6-(trifluoromethyl)quinoline hydrochloride
• 别名: 4-HYDRAZINO-6-TRIFLUOROMETHYLQUINOLINE HYDROCHLORIDE

登记号

• CAS号: 1170816-62-2

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 1.5360315
• LogD (pH = 7.4): 2.3763926
• Log P: 2.4003916
• 摩尔折射率: 55.6597 cm^3
• 极化性: 20.511578 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%