1-(2-chloroethyl)-2-methyl-1H-imidazole hydrochloride

• ChemBase编号: 143774
• 分子式: C6H10Cl2N2
• 平均质量: 181.063
• 单一同位素质量: 180.02210369
• SMILES: Cc1nccn1CCCl.Cl
• Canonical SMILES: Cc1nccn1CCCl.Cl
• InChI: InChI=1S/C6H9ClN2.ClH/c1-6-8-3-5-9(6)4-2-7;/h3,5H,2,4H2,1H3;1H
• InChIKey: ANZFVGZRGNLSBV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(2-chloroethyl)-2-methyl-1H-imidazole hydrochloride
• IUPAC传统名: 1-(2-chloroethyl)-2-methylimidazole hydrochloride
• 别名: 1-(2-Chloroethyl)-2-methyl-1H-imidazole hydrochloride

登记号

• MDL号: MFCD09864555
• PubChem SID: 162237991
• PubChem CID: 117084

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -0.14579198
• LogD (pH = 7.4): 0.624332
• Log P: 0.86600643
• 摩尔折射率: 37.6935 cm^3
• 极化性: 14.3513 Å^3
• 极化表面积: 17.82 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): C6H10Cl2N2

详细说明

Sigma Aldrich - CBR00884

Other Notes
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