2-ethylpiperazine dihydrochloride

• ChemBase编号: 144317
• 分子式: C6H16Cl2N2
• 平均质量: 187.11064
• 单一同位素质量: 186.06905388
• SMILES: CCC1CNCCN1.Cl.Cl
• Canonical SMILES: CCC1NCCNC1.Cl.Cl
• InChI: InChI=1S/C6H14N2.2ClH/c1-2-6-5-7-3-4-8-6;;/h6-8H,2-5H2,1H3;2*1H
• InChIKey: VCKAKBROIJTVJI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-ethylpiperazine dihydrochloride
• IUPAC传统名: 2-ethylpiperazine dihydrochloride
• 别名: 2-Ethylpiperazine dihydrochloride

登记号

• MDL号: MFCD12546925
• PubChem SID: 162238532
• PubChem CID: 22219974

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -3.2233167
• LogD (pH = 7.4): -2.0540442
• Log P: 0.2102906
• 摩尔折射率: 34.3916 cm^3
• 极化性: 14.118806 Å^3
• 极化表面积: 24.06 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): C6H16Cl2N2

详细说明

Sigma Aldrich - CBR00969

Analysis Note
may contain up to 0.5 eq water
Other Notes
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