[1-(dimethyl-1,3-thiazol-4-yl)ethyl](methyl)amine

• ChemBase编号: 310426
• 分子式: C8H14N2S
• 平均质量: 170.27516
• 单一同位素质量: 170.08776946
• SMILES: c1(nc(sc1C)C)C(NC)C
• Canonical SMILES: CNC(c1nc(sc1C)C)C
• InChI: InChI=1S/C8H14N2S/c1-5(9-4)8-6(2)11-7(3)10-8/h5,9H,1-4H3
• InChIKey: JXLFGBIQVANZGO-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD08060068

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.0704297
• LogD (pH = 7.4): 0.64384305
• Log P: 1.609549
• 摩尔折射率: 47.9831 cm^3
• 极化性: 18.669123 Å^3
• 极化表面积: 24.92 Å^2