1,3,3-trimethylpiperazine dihydrochloride

• ChemBase编号: 144000
• 分子式: C7H18Cl2N2
• 平均质量: 201.13722
• 单一同位素质量: 200.08470395
• SMILES: CC1(CN(CCN1)C)C.Cl.Cl
• Canonical SMILES: CN1CCNC(C1)(C)C.Cl.Cl
• InChI: InChI=1S/C7H16N2.2ClH/c1-7(2)6-9(3)5-4-8-7;;/h8H,4-6H2,1-3H3;2*1H
• InChIKey: YFTRYOMGQYCFPH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,3,3-trimethylpiperazine dihydrochloride
• IUPAC传统名: 1,3,3-trimethylpiperazine dihydrochloride
• 别名: 1,3,3-Trimethylpiperazine dihydrochloride

登记号

• MDL号: MFCD09864387
• PubChem SID: 162238217
• PubChem CID: 53398806

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -3.2405155
• LogD (pH = 7.4): -1.9759624
• Log P: 0.3513928
• 摩尔折射率: 39.8005 cm^3
• 极化性: 15.965017 Å^3
• 极化表面积: 15.27 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C7H18Cl2N2

详细说明

Sigma Aldrich - CBR00658

Other Notes
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