methyl[(1-methyl-1H-imidazol-2-yl)methyl]amine dihydrochloride

• ChemBase编号: 143802
• 分子式: C6H13Cl2N3
• 平均质量: 198.09352
• 单一同位素质量: 197.04865279
• SMILES: CNCc1nccn1C.Cl.Cl
• Canonical SMILES: CNCc1nccn1C.Cl.Cl
• InChI: InChI=1S/C6H11N3.2ClH/c1-7-5-6-8-3-4-9(6)2;;/h3-4,7H,5H2,1-2H3;2*1H
• InChIKey: CUAWRRJUNWHOHP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl[(1-methyl-1H-imidazol-2-yl)methyl]amine dihydrochloride
• IUPAC传统名: methyl[(1-methylimidazol-2-yl)methyl]amine dihydrochloride
• 别名: N-Methyl-1-(1-methyl-1H-imidazol-2-yl)methanamine dihydrochloride; N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]amine dihydrochloride

登记号

• MDL号: MFCD07324813
• PubChem SID: 162238019
• PubChem CID: 16333290

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.5856204
• LogD (pH = 7.4): -0.943126
• Log P: -0.29003286
• 摩尔折射率: 36.4845 cm^3
• 极化性: 14.107642 Å^3
• 极化表面积: 29.85 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

• 熔点: 206 - 208°C
• 疏水性(logP): -0.645

产品相关信息

• 纯度: 95%
• 成盐信息: 2HCl
• Empirical Formula (Hill Notation): C6H13Cl2N3

详细说明

Sigma Aldrich - CBR00690

Other Notes
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