pyrrolidin-2-imine hydrochloride

• ChemBase ID: 252511
• Molecular Formular: C4H9ClN2
• Molecular Mass: 120.58066
• Monoisotopic Mass: 120.04542598
• SMILES: C1(=N)NCCC1.Cl
• Canonical SMILES: N=C1CCCN1.Cl
• InChI: InChI=1S/C4H8N2.ClH/c5-4-2-1-3-6-4;/h1-3H2,(H2,5,6);1H
• InChIKey: JEBHLIYFPKISBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrrolidin-2-imine hydrochloride
• IUPAC Traditional name: pyrrolidin-2-imine hydrochloride
• Synonyms: pyrrolidin-2-imine hydrochloride

Database IDs

• MDL Number: MFCD00790772
• PubChem SID: 164308421
• PubChem CID: 12778905

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.8712993
• LogD (pH = 7.4): -2.8707235
• Log P: -0.4558478
• Molar Refractivity: 34.7299 cm^3
• Polarizability: 9.232384 Å^3
• Polar Surface Area: 35.88 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): -0.273

Product Information

• Purity: 95%
• Salt Data: HCl