2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethan-1-amine

• ChemBase编号: 309419
• 分子式: C7H11N3O
• 平均质量: 153.18174
• 单一同位素质量: 153.09021199
• SMILES: n1c(noc1CCN)C1CC1
• Canonical SMILES: NCCc1onc(n1)C1CC1
• InChI: InChI=1S/C7H11N3O/c8-4-3-6-9-7(10-11-6)5-1-2-5/h5H,1-4,8H2
• InChIKey: VOEMFJWEONPRDK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethan-1-amine
• IUPAC传统名: 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine
• 别名: 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine

登记号

• CAS号: 952283-54-4
• MDL号: MFCD11121014

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -2.5754082
• LogD (pH = 7.4): -1.261626
• Log P: 0.51012397
• 摩尔折射率: 41.1975 cm^3
• 极化性: 15.320623 Å^3
• 极化表面积: 64.94 Å^2