pyrazolidine dihydrochloride

• ChemBase ID: 292049
• Molecular Formular: C3H10Cl2N2
• Molecular Mass: 145.0309
• Monoisotopic Mass: 144.02210369
• SMILES: Cl.Cl.C1CNNC1
• Canonical SMILES: C1CNNC1.Cl.Cl
• InChI: InChI=1S/C3H8N2.2ClH/c1-2-4-5-3-1;;/h4-5H,1-3H2;2*1H
• InChIKey: LUXXPABUPDCSHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrazolidine dihydrochloride
• IUPAC Traditional name: pyrazolidine dihydrochloride
• Synonyms: Pyrazolidine dihydrochloride

Database IDs

• CAS Number: 89990-54-5
• MDL Number: MFCD16620353
• PubChem SID: 180677580
• PubChem CID: 12314782

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1802901
• LogD (pH = 7.4): -0.7089903
• Log P: -0.6980034
• Molar Refractivity: 42.1196 cm^3
• Polarizability: 8.379572 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%