5-(chloromethyl)-1-cyclohexyl-1H-imidazole hydrochloride

• ChemBase编号: 144095
• 分子式: C10H16Cl2N2
• 平均质量: 235.15344
• 单一同位素质量: 234.06905388
• SMILES: c1c(n(cn1)C1CCCCC1)CCl.Cl
• Canonical SMILES: ClCc1cncn1C1CCCCC1.Cl
• InChI: InChI=1S/C10H15ClN2.ClH/c11-6-10-7-12-8-13(10)9-4-2-1-3-5-9;/h7-9H,1-6H2;1H
• InChIKey: CJHZJQNETHIJLK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-(chloromethyl)-1-cyclohexyl-1H-imidazole hydrochloride
• IUPAC传统名: 5-(chloromethyl)-1-cyclohexylimidazole hydrochloride
• 别名: 5-(Chloromethyl)-1-cyclohexyl-1H-imidazole hydrochloride

登记号

• MDL号: MFCD13186111
• PubChem SID: 162238312
• PubChem CID: 53398878

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 1.9155033
• LogD (pH = 7.4): 2.3543103
• Log P: 2.3849657
• 摩尔折射率: 54.6681 cm^3
• 极化性: 21.04282 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): C10H16Cl2N2

详细说明

Sigma Aldrich - CBR00849

Other Notes
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