methyl[(2-methyl-1,3-thiazol-4-yl)methyl]amine

• ChemBase编号: 89631
• 分子式: C6H10N2S
• 平均质量: 142.222
• 单一同位素质量: 142.05646933
• SMILES: n1c(scc1CNC)C
• Canonical SMILES: CNCc1csc(n1)C
• InChI: InChI=1S/C6H10N2S/c1-5-8-6(3-7-2)4-9-5/h4,7H,3H2,1-2H3
• InChIKey: GJHOBSIOQKGKSG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl[(2-methyl-1,3-thiazol-4-yl)methyl]amine
• IUPAC传统名: methyl[(2-methyl-1,3-thiazol-4-yl)methyl]amine
• 别名: N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine; N,2-dimethyl-(1,3-thiazol-4-yl)methylamine; N-methyl-1-(2-methylthiazol-4-yl)methanamine; methyl[(2-methyl-1,3-thiazol-4-yl)methyl]amine; N-Methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]amine; 2-Methyl-4-[(methylamino)methyl]-1,3-thiazole 97%

登记号

• CAS号: 144163-81-5
• MDL号: MFCD06738964
• PubChem SID: 162076496
• PubChem CID: 18939489

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.1180558
• LogD (pH = 7.4): -0.3839794
• Log P: 0.39492404
• 摩尔折射率: 38.4329 cm^3
• 极化性: 15.071386 Å^3
• 极化表面积: 24.92 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 0.353

安全信息

• 保存注意事项: Corrosive

产品相关信息

• 纯度: 95%; 97%; 98%