1-(dimethyl-1,3-thiazol-4-yl)ethan-1-amine dihydrochloride

• ChemBase编号: 143772
• 分子式: C7H14Cl2N2S
• 平均质量: 229.17046
• 单一同位素质量: 228.02547482
• SMILES: Cc1c(nc(s1)C)C(C)N.Cl.Cl
• Canonical SMILES: Cc1nc(c(s1)C)C(N)C.Cl.Cl
• InChI: InChI=1S/C7H12N2S.2ClH/c1-4(8)7-5(2)10-6(3)9-7;;/h4H,8H2,1-3H3;2*1H
• InChIKey: SBIWNHGRRGXRIO-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD13186289
• PubChem SID: 162237989
• PubChem CID: 50944361

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.5598787
• LogD (pH = 7.4): 0.010471055
• Log P: 1.1769687
• 摩尔折射率: 43.2085 cm^3
• 极化性: 16.829994 Å^3
• 极化表面积: 38.91 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C7H14Cl2N2S

详细说明

Sigma Aldrich - CBR00692

Other Notes
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