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

• ChemBase编号: 235404
• 分子式: C10H18ClN3O2
• 平均质量: 247.72182
• 单一同位素质量: 247.10875451
• SMILES: N1(C(=O)NC(C1=O)(C1CNCCC1)C)C.Cl
• Canonical SMILES: O=C1NC(C(=O)N1C)(C)C1CCCNC1.Cl
• InChI: InChI=1S/C10H17N3O2.ClH/c1-10(7-4-3-5-11-6-7)8(14)13(2)9(15)12-10;/h7,11H,3-6H2,1-2H3,(H,12,15);1H
• InChIKey: QLDQERQMYNDMOS-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD22369797
• PubChem SID: 164291314
• PubChem CID: 71755504

理论计算性质

• Acid pKa: 11.789742
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -3.6649976
• LogD (pH = 7.4): -3.1468372
• Log P: -0.6000464
• 摩尔折射率: 55.277 cm^3
• 极化性: 21.672688 Å^3
• 极化表面积: 61.44 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): -0.415

产品相关信息

• 纯度: 95%