3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide

• ChemBase编号: 248869
• 分子式: C8H14N4O3
• 平均质量: 214.22176
• 单一同位素质量: 214.10659033
• SMILES: N1(C(=O)NC(C1=O)(C)C)CCC(=O)NN
• Canonical SMILES: NNC(=O)CCN1C(=O)NC(C1=O)(C)C
• InChI: InChI=1S/C8H14N4O3/c1-8(2)6(14)12(7(15)10-8)4-3-5(13)11-9/h3-4,9H2,1-2H3,(H,10,15)(H,11,13)
• InChIKey: OGQFMIYDMPTKJH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide
• IUPAC传统名: 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide
• 别名: 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanohydrazide

登记号

• MDL号: MFCD06655586
• PubChem SID: 164304779
• PubChem CID: 4962151

理论计算性质

• Acid pKa: 11.562912
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -1.6147121
• LogD (pH = 7.4): -1.6134819
• Log P: -1.6134366
• 摩尔折射率: 52.2403 cm^3
• 极化性: 19.938604 Å^3
• 极化表面积: 104.53 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 176 - 178°C
• 疏水性(logP): -2.345

产品相关信息

• 纯度: 95%