N-[(hydrazinecarbonyl)methyl]-N-methylmethanesulfonamide

• ChemBase编号: 309027
• 分子式: C4H11N3O3S
• 平均质量: 181.21344
• 单一同位素质量: 181.05211223
• SMILES: S(=O)(=O)(N(CC(=O)NN)C)C
• Canonical SMILES: NNC(=O)CN(S(=O)(=O)C)C
• InChI: InChI=1S/C4H11N3O3S/c1-7(11(2,9)10)3-4(8)6-5/h3,5H2,1-2H3,(H,6,8)
• InChIKey: URDYGSGSUZGQOO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(hydrazinecarbonyl)methyl]-N-methylmethanesulfonamide
• IUPAC传统名: N-[(hydrazinecarbonyl)methyl]-N-methylmethanesulfonamide
• 别名: N-(2-hydrazino-2-oxoethyl)-N-methylmethanesulfonamide

登记号

• CAS号: 1119445-29-2
• MDL号: MFCD12827522

理论计算性质

• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -2.7142777
• LogD (pH = 7.4): -2.713356
• Log P: -2.7133324
• 摩尔折射率: 40.2512 cm^3
• 极化性: 16.222992 Å^3
• 极化表面积: 92.5 Å^2