1-(dimethyl-1,3-thiazol-2-yl)ethan-1-amine

• ChemBase编号: 308855
• 分子式: C7H12N2S
• 平均质量: 156.24858
• 单一同位素质量: 156.07211939
• SMILES: n1c(sc(c1C)C)C(N)C
• Canonical SMILES: CC(c1sc(c(n1)C)C)N
• InChI: InChI=1S/C7H12N2S/c1-4(8)7-9-5(2)6(3)10-7/h4H,8H2,1-3H3
• InChIKey: VZQYBPGNBCABSI-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• CAS号: 432047-35-3
• MDL号: MFCD09891365

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.4620967
• LogD (pH = 7.4): 0.17318171
• Log P: 1.1769687
• 摩尔折射率: 43.2085 cm^3
• 极化性: 16.830376 Å^3
• 极化表面积: 38.91 Å^2