4-hydrazinyl-1-methyl-1,2-dihydroquinolin-2-one

• ChemBase编号: 310397
• 分子式: C10H11N3O
• 平均质量: 189.21384
• 单一同位素质量: 189.09021199
• SMILES: c1(=O)cc(c2c(n1C)cccc2)NN
• Canonical SMILES: NNc1cc(=O)n(c2c1cccc2)C
• InChI: InChI=1S/C10H11N3O/c1-13-9-5-3-2-4-7(9)8(12-11)6-10(13)14/h2-6,12H,11H2,1H3
• InChIKey: ZYSGUISDGDUDLK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-hydrazinyl-1-methyl-1,2-dihydroquinolin-2-one
• IUPAC传统名: 4-hydrazinyl-1-methylquinolin-2-one
• 别名: 4-hydrazino-1-methylquinolin-2(1H)-one

登记号

• CAS号: 192633-21-9
• MDL号: MFCD02113369

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -0.16772793
• LogD (pH = 7.4): -0.11489181
• Log P: -0.11417481
• 摩尔折射率: 66.9218 cm^3
• 极化性: 20.548304 Å^3
• 极化表面积: 58.36 Å^2