(5-cyclopropyl-1,2-oxazol-3-yl)methanamine

• ChemBase编号: 308446
• 分子式: C7H10N2O
• 平均质量: 138.1671
• 单一同位素质量: 138.07931295
• SMILES: c1(cc(no1)CN)C1CC1
• Canonical SMILES: NCc1noc(c1)C1CC1
• InChI: InChI=1S/C7H10N2O/c8-4-6-3-7(10-9-6)5-1-2-5/h3,5H,1-2,4,8H2
• InChIKey: YAGKRVQCDOMDOS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (5-cyclopropyl-1,2-oxazol-3-yl)methanamine
• IUPAC传统名: (5-cyclopropyl-1,2-oxazol-3-yl)methanamine
• 别名: 1-(5-cyclopropyl-3-isoxazolyl)methanamine

登记号

• CAS号: 1060817-49-3
• MDL号: MFCD11053974

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.31595
• LogD (pH = 7.4): -0.6312419
• Log P: 0.16836219
• 摩尔折射率: 37.7943 cm^3
• 极化性: 14.402823 Å^3
• 极化表面积: 52.05 Å^2