methyl[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amine

• ChemBase编号: 309026
• 分子式: C6H11N3O
• 平均质量: 141.17104
• 单一同位素质量: 141.09021199
• SMILES: n1c(onc1C)C(NC)C
• Canonical SMILES: CNC(c1onc(n1)C)C
• InChI: InChI=1S/C6H11N3O/c1-4(7-3)6-8-5(2)9-10-6/h4,7H,1-3H3
• InChIKey: LZOUKPQZKZNAIN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amine
• IUPAC传统名: methyl[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amine
• 别名: N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

登记号

• CAS号: 1209845-95-3
• MDL号: MFCD13188609

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.1449608
• LogD (pH = 7.4): 0.3215269
• Log P: 0.52054316
• 摩尔折射率: 38.3674 cm^3
• 极化性: 14.27835 Å^3
• 极化表面积: 50.95 Å^2