(4-ethyl-1,3-thiazol-2-yl)methanamine dihydrochloride

• ChemBase编号: 144335
• 分子式: C6H12Cl2N2S
• 平均质量: 215.14388
• 单一同位素质量: 214.00982475
• SMILES: CCc1csc(n1)CN.Cl.Cl
• Canonical SMILES: CCc1csc(n1)CN.Cl.Cl
• InChI: InChI=1S/C6H10N2S.2ClH/c1-2-5-4-9-6(3-7)8-5;;/h4H,2-3,7H2,1H3;2*1H
• InChIKey: OGYSYFOHRPZQEV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (4-ethyl-1,3-thiazol-2-yl)methanamine dihydrochloride
• IUPAC传统名: (4-ethyl-1,3-thiazol-2-yl)methanamine dihydrochloride
• 别名: 1-(4-Ethyl-1,3-thiazol-2-yl)methanamine dihydrochloride

登记号

• MDL号: MFCD09864312
• PubChem SID: 162238550
• PubChem CID: 53398920

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.7258891
• LogD (pH = 7.4): -0.03181168
• Log P: 0.6628795
• 摩尔折射率: 38.2852 cm^3
• 极化性: 15.071529 Å^3
• 极化表面积: 38.91 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C6H12Cl2N2S

详细说明

Sigma Aldrich - CBR00967

Analysis Note
may contain trace amounts of water
Other Notes
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