8-chloro-4-hydrazinyl-2,6-dimethylquinoline hydrochloride

• ChemBase编号: 805333
• 分子式: C11H13Cl2N3
• 平均质量: 258.14702
• 单一同位素质量: 257.04865279
• SMILES: Cl.c1c(c2c(cc1C)c(cc(n2)C)NN)Cl
• Canonical SMILES: NNc1cc(C)nc2c1cc(C)cc2Cl.Cl
• InChI: InChI=1S/C11H12ClN3.ClH/c1-6-3-8-10(15-13)5-7(2)14-11(8)9(12)4-6;/h3-5H,13H2,1-2H3,(H,14,15);1H
• InChIKey: KYLCTRKORLNKNI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-chloro-4-hydrazinyl-2,6-dimethylquinoline hydrochloride
• IUPAC传统名: 8-chloro-4-hydrazinyl-2,6-dimethylquinoline hydrochloride
• 别名: 8-CHLORO-2,6-DIMETHYL-4-HYDRAZINOQUINOLINE HYDROCHLORIDE

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 2.2568614
• LogD (pH = 7.4): 2.762577
• Log P: 2.7713792
• 摩尔折射率: 64.1235 cm^3
• 极化性: 24.91792 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%