2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide

• ChemBase编号: 308773
• 分子式: C8H17N3O2
• 平均质量: 187.23948
• 单一同位素质量: 187.1320768
• SMILES: N1(CC(=O)N)CCN(CC1)CCO
• Canonical SMILES: OCCN1CCN(CC1)CC(=O)N
• InChI: InChI=1S/C8H17N3O2/c9-8(13)7-11-3-1-10(2-4-11)5-6-12/h12H,1-7H2,(H2,9,13)
• InChIKey: OJEUKFXLIICKDY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
• IUPAC传统名: 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
• 别名: 2-[4-(2-hydroxyethyl)-1-piperazinyl]acetamide

登记号

• CAS号: 90228-11-8
• MDL号: MFCD11505330

理论计算性质

• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -3.9384763
• LogD (pH = 7.4): -2.316043
• Log P: -1.9817723
• 摩尔折射率: 50.2373 cm^3
• 极化性: 19.64174 Å^3
• 极化表面积: 69.8 Å^2