6-hydrazinyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase编号: 307000
• 分子式: C4H6N4O2
• 平均质量: 142.11604
• 单一同位素质量: 142.04907545
• SMILES: [nH]1c(=O)[nH]c(=O)cc1NN
• Canonical SMILES: NNc1cc(=O)[nH]c(=O)[nH]1
• InChI: InChI=1S/C4H6N4O2/c5-8-2-1-3(9)7-4(10)6-2/h1H,5H2,(H3,6,7,8,9,10)
• InChIKey: ZHNIRIANAAPGDH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-hydrazinyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC传统名: 6-hydrazinyl-1,3-dihydropyrimidine-2,4-dione
• 别名: 6-hydrazinopyrimidine-2,4(1H,3H)-dione

登记号

• CAS号: 893631-08-8
• MDL号: MFCD00721722

理论计算性质

• 质子受体: 4
• 质子供体: 4
• LogD (pH = 5.5): -1.5599391
• LogD (pH = 7.4): -1.5440886
• Log P: -1.5411458
• 摩尔折射率: 53.8822 cm^3
• 极化性: 12.272682 Å^3
• 极化表面积: 96.25 Å^2