2-chloro-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

• ChemBase编号: 251693
• 分子式: C8H12ClN3O3
• 平均质量: 233.65218
• 单一同位素质量: 233.05671894
• SMILES: N1(C(=O)NC(C1=O)(CC)C)NC(=O)CCl
• Canonical SMILES: ClCC(=O)NN1C(=O)NC(C1=O)(C)CC
• InChI: InChI=1S/C8H12ClN3O3/c1-3-8(2)6(14)12(7(15)10-8)11-5(13)4-9/h3-4H2,1-2H3,(H,10,15)(H,11,13)
• InChIKey: UDLZRULAKSUQDH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-chloro-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
• IUPAC传统名: 2-chloro-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
• 别名: 2-chloro-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

登记号

• MDL号: MFCD08729197
• PubChem SID: 164307603
• PubChem CID: 16226960

理论计算性质

• Acid pKa: 7.114612
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 0.012505027
• LogD (pH = 7.4): -0.3587122
• Log P: 0.021726497
• 摩尔折射率: 52.3964 cm^3
• 极化性: 20.429796 Å^3
• 极化表面积: 78.51 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): -0.498

产品相关信息

• 纯度: 95%