5-ethyl-5-(4-ethylphenyl)imidazolidine-2,4-dione

• ChemBase编号: 238954
• 分子式: C13H16N2O2
• 平均质量: 232.27834
• 单一同位素质量: 232.12117776
• SMILES: N1C(=O)C(NC1=O)(c1ccc(cc1)CC)CC
• Canonical SMILES: CCC1(NC(=O)NC1=O)c1ccc(cc1)CC
• InChI: InChI=1S/C13H16N2O2/c1-3-9-5-7-10(8-6-9)13(4-2)11(16)14-12(17)15-13/h5-8H,3-4H2,1-2H3,(H2,14,15,16,17)
• InChIKey: STGWOVLLRLUPTI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-ethyl-5-(4-ethylphenyl)imidazolidine-2,4-dione
• IUPAC传统名: 5-ethyl-5-(4-ethylphenyl)imidazolidine-2,4-dione
• 别名: 5-ethyl-5-(4-ethylphenyl)imidazolidine-2,4-dione

登记号

• MDL号: MFCD11638553
• PubChem SID: 164294864
• PubChem CID: 43309893

理论计算性质

• Acid pKa: 9.831187
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 2.3994672
• LogD (pH = 7.4): 2.3978994
• Log P: 2.3994873
• 摩尔折射率: 64.2835 cm^3
• 极化性: 24.828186 Å^3
• 极化表面积: 58.2 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

• 疏水性(logP): 2.603

产品相关信息

• 纯度: 95%