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

• ChemBase编号: 55608
• 分子式: C6H12Cl2N2S
• 平均质量: 215.14388
• 单一同位素质量: 214.00982475
• SMILES: n1c(scc1C)CNC.Cl.Cl
• Canonical SMILES: CNCc1scc(n1)C.Cl.Cl
• InChI: InChI=1S/C6H10N2S.2ClH/c1-5-4-9-6(8-5)3-7-2;;/h4,7H,3H2,1-2H3;2*1H
• InChIKey: HUPIALUKIPJUPK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl[(4-methyl-1,3-thiazol-2-yl)methyl]amine dihydrochloride
• IUPAC传统名: methyl[(4-methyl-1,3-thiazol-2-yl)methyl]amine dihydrochloride
• 别名: N-Methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine dihydrochloride; N-Methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine dihydrochloride

登记号

• MDL号: MFCD08689658
• PubChem SID: 162060371
• PubChem CID: 53398921

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.0217137
• LogD (pH = 7.4): -0.28972995
• Log P: 0.39492404
• 摩尔折射率: 38.4329 cm^3
• 极化性: 15.071573 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

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• Empirical Formula (Hill Notation): C6H12Cl2N2S

详细说明

Sigma Aldrich - CBR00972

Analysis Note
may contain up to 0.5 eq water
Other Notes
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Legal Information
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