1-ethyl-2,2-dimethylpiperazine dihydrochloride

• ChemBase编号: 144149
• 分子式: C8H20Cl2N2
• 平均质量: 215.1638
• 单一同位素质量: 214.10035401
• SMILES: CCN1CCNCC1(C)C.Cl.Cl
• Canonical SMILES: CCN1CCNCC1(C)C.Cl.Cl
• InChI: InChI=1S/C8H18N2.2ClH/c1-4-10-6-5-9-7-8(10,2)3;;/h9H,4-7H2,1-3H3;2*1H
• InChIKey: MTDGGBPLLAQIIR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-ethyl-2,2-dimethylpiperazine dihydrochloride
• IUPAC传统名: 1-ethyl-2,2-dimethylpiperazine dihydrochloride
• 别名: 1-Ethyl-2,2-dimethylpiperazine dihydrochloride

登记号

• MDL号: MFCD09864588
• PubChem SID: 162238366
• PubChem CID: 53398810

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -3.0650408
• LogD (pH = 7.4): -1.8862069
• Log P: 0.70820075
• 摩尔折射率: 44.5491 cm^3
• 极化性: 17.811394 Å^3
• 极化表面积: 15.27 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C8H20Cl2N2

详细说明

Sigma Aldrich - CBR00670

Other Notes
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