1,3-dichloro-5-ethyl-5-methylimidazolidine-2,4-dione

• ChemBase编号: 798396
• 分子式: C6H8Cl2N2O2
• 平均质量: 211.04592
• 单一同位素质量: 209.99628287
• SMILES: N1(C(=O)N(C(=O)C1(C)CC)Cl)Cl
• Canonical SMILES: CC1(CC)N(Cl)C(=O)N(C1=O)Cl
• InChI: InChI=1S/C6H8Cl2N2O2/c1-3-6(2)4(11)9(7)5(12)10(6)8/h3H2,1-2H3
• InChIKey: OFTZZDZZNXTWFO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,3-dichloro-5-ethyl-5-methylimidazolidine-2,4-dione
• IUPAC传统名: 1,3-dichloro-5-ethyl-5-methylimidazolidine-2,4-dione
• 别名: 1,3-dichloro-5-ethyl-5-methylimidazolidine-2,4-dione

登记号

• CAS号: 89415-87-2

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.5982612
• LogD (pH = 7.4): 1.5982612
• Log P: 1.5982612
• 摩尔折射率: 45.4499 cm^3
• 极化性: 17.433834 Å^3
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 97%