5-(piperidin-3-yl)imidazolidine-2,4-dione hydrobromide

• ChemBase编号: 262107
• 分子式: C8H14BrN3O2
• 平均质量: 264.11966
• 单一同位素质量: 263.0269387
• SMILES: N1C(=O)C(NC1=O)C1CNCCC1.Br
• Canonical SMILES: O=C1NC(=O)C(N1)C1CCCNC1.Br
• InChI: InChI=1S/C8H13N3O2.BrH/c12-7-6(10-8(13)11-7)5-2-1-3-9-4-5;/h5-6,9H,1-4H2,(H2,10,11,12,13);1H
• InChIKey: RGRCFAVEIPJUGG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-(piperidin-3-yl)imidazolidine-2,4-dione hydrobromide
• IUPAC传统名: 5-(piperidin-3-yl)imidazolidine-2,4-dione hydrobromide
• 别名: 5-(piperidin-3-yl)imidazolidine-2,4-dione hydrobromide

登记号

• MDL号: MFCD12913070
• PubChem SID: 164318017
• PubChem CID: 45791972

理论计算性质

• Acid pKa: 9.730615
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): -4.3208537
• LogD (pH = 7.4): -3.7903557
• Log P: -1.8737751
• 摩尔折射率: 45.667 cm^3
• 极化性: 18.015432 Å^3
• 极化表面积: 70.23 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): -1.56

产品相关信息

• 纯度: 95%