1-methylimidazolidine-2,4,5-trione

• ChemBase编号: 310000
• 分子式: C4H4N2O3
• 平均质量: 128.08616
• 单一同位素质量: 128.022192
• SMILES: N1(C(=O)NC(=O)C1=O)C
• Canonical SMILES: O=C1NC(=O)N(C1=O)C
• InChI: InChI=1S/C4H4N2O3/c1-6-3(8)2(7)5-4(6)9/h1H3,(H,5,7,9)
• InChIKey: MJJCZWPYKMGQHU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methylimidazolidine-2,4,5-trione
• IUPAC传统名: 1-methylimidazolidine-2,4,5-trione
• 别名: 1-methyl-2,4,5-imidazolidinetrione

登记号

• CAS号: 3659-97-0
• MDL号: MFCD00457047

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.98610437
• LogD (pH = 7.4): -1.3042667
• Log P: -0.98000133
• 摩尔折射率: 26.3223 cm^3
• 极化性: 10.119884 Å^3
• 极化表面积: 66.48 Å^2