3-ethyl-5-methyl-5-(piperidin-3-yl)imidazolidine-2,4-dione hydrochloride

• ChemBase编号: 247818
• 分子式: C11H20ClN3O2
• 平均质量: 261.7484
• 单一同位素质量: 261.12440458
• SMILES: N1(C(=O)NC(C1=O)(C1CNCCC1)C)CC.Cl
• Canonical SMILES: CCN1C(=O)NC(C1=O)(C)C1CCCNC1.Cl
• InChI: InChI=1S/C11H19N3O2.ClH/c1-3-14-9(15)11(2,13-10(14)16)8-5-4-6-12-7-8;/h8,12H,3-7H2,1-2H3,(H,13,16);1H
• InChIKey: BWLHZGIQSKDVCF-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164303728
• PubChem CID: 71758315

理论计算性质

• 极化表面积: 61.44 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true
• Acid pKa: 11.829923
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -3.308191
• LogD (pH = 7.4): -2.790059
• Log P: -0.2333103
• 摩尔折射率: 60.0256 cm^3
• 极化性: 23.504938 Å^3

分子性质

理化性质

• 疏水性(logP): 0.114

产品相关信息

• 纯度: 95%