5-(2-bromoethyl)imidazolidine-2,4-dione

• ChemBase编号: 162879
• 分子式: C5H7BrN2O2
• 平均质量: 207.02528
• 单一同位素质量: 205.96908947
• SMILES: N1C(C(=O)NC1=O)CCBr
• Canonical SMILES: BrCCC1NC(=O)NC1=O
• InChI: InChI=1S/C5H7BrN2O2/c6-2-1-3-4(9)8-5(10)7-3/h3H,1-2H2,(H2,7,8,9,10)
• InChIKey: FFNNVNAMCNAOIW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-(2-bromoethyl)imidazolidine-2,4-dione
• IUPAC传统名: 5-(2-bromoethyl)imidazolidine-2,4-dione
• 别名: 5-(2-Bromoethyl)-2,4-imidazolidinedione; NSC 401238; 5-(2-Bromoethyl)hydantoin

登记号

• CAS号: 7471-52-5
• PubChem SID: 162257014
• PubChem CID: 344374

理论计算性质

• Acid pKa: 9.666758
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -0.32834858
• LogD (pH = 7.4): -0.33063596
• Log P: -0.32831934
• 摩尔折射率: 37.9836 cm^3
• 极化性: 14.738006 Å^3
• 极化表面积: 58.2 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - B684265

Intermediate in the preparation of Seleno-ethionine