2-ethylpiperazine dihydrochloride

• ChemBase ID: 144317
• Molecular Formular: C6H16Cl2N2
• Molecular Mass: 187.11064
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethylpiperazine dihydrochloride
• IUPAC Traditional name: 2-ethylpiperazine dihydrochloride
• Synonyms: 2-Ethylpiperazine dihydrochloride

Database IDs

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

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.2233167
• LogD (pH = 7.4): -2.0540442
• Log P: 0.2102906
• Molar Refractivity: 34.3916 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C6H16Cl2N2

DETAILS

Sigma Aldrich - CBR00969

Analysis Note
may contain up to 0.5 eq water
Other Notes
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Legal Information
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