piperazine dihydrochloride

• ChemBase ID: 111065
• Molecular Formular: C4H12Cl2N2
• Molecular Mass: 159.05748
• Monoisotopic Mass: 158.03775375
• SMILES: Cl.Cl.C1CNCCN1
• Canonical SMILES: N1CCNCC1.Cl.Cl
• InChI: InChI=1S/C4H10N2.2ClH/c1-2-6-4-3-5-1;;/h5-6H,1-4H2;2*1H
• InChIKey: CVVIJWRCGSYCMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperazine dihydrochloride
• IUPAC Traditional name: piperazine dihydrochloride
• Synonyms: PIPERAZINE DIHYDROCHLORIDE

Database IDs

• CAS Number: 142-64-3
• PubChem SID: 162097010
• PubChem CID: 8893

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.077815
• LogD (pH = 7.4): -2.859133
• Log P: -0.72880685
• Molar Refractivity: 25.4488 cm^3
• Polarizability: 10.427217 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05217586

MP Biomedicals Rare Chemical collection