1-ethyl-2,2-dimethylpiperazine dihydrochloride

• ChemBase ID: 144149
• Molecular Formular: C8H20Cl2N2
• Molecular Mass: 215.1638
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-2,2-dimethylpiperazine dihydrochloride
• IUPAC Traditional name: 1-ethyl-2,2-dimethylpiperazine dihydrochloride
• Synonyms: 1-Ethyl-2,2-dimethylpiperazine dihydrochloride

Database IDs

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

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0650408
• LogD (pH = 7.4): -1.8862069
• Log P: 0.70820075
• Molar Refractivity: 44.5491 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H20Cl2N2

DETAILS

Sigma Aldrich - CBR00670

Other Notes
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Legal Information
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