5-(chloromethyl)-1-(2-methoxyethyl)-1H-imidazole hydrochloride

• ChemBase编号: 144094
• 分子式: C7H12Cl2N2O
• 平均质量: 211.08898
• 单一同位素质量: 210.03266837
• SMILES: COCCn1cncc1CCl.Cl
• Canonical SMILES: COCCn1cncc1CCl.Cl
• InChI: InChI=1S/C7H11ClN2O.ClH/c1-11-3-2-10-6-9-5-7(10)4-8;/h5-6H,2-4H2,1H3;1H
• InChIKey: BDRMMNDHPKXYJP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-(chloromethyl)-1-(2-methoxyethyl)-1H-imidazole hydrochloride
• IUPAC传统名: 5-(chloromethyl)-1-(2-methoxyethyl)imidazole hydrochloride
• 别名: 5-(Chloromethyl)-1-(2-methoxyethyl)-1H-imidazole hydrochloride

登记号

• MDL号: MFCD13186221
• PubChem SID: 162238311
• PubChem CID: 18670786

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.06692657
• LogD (pH = 7.4): 0.5073341
• Log P: 0.53871953
• 摩尔折射率: 44.6974 cm^3
• 极化性: 16.987307 Å^3
• 极化表面积: 27.05 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C7H12Cl2N2O

详细说明

Sigma Aldrich - CBR00853

Other Notes
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