2-azabicyclo[3.1.0]hexane hydrochloride

• ChemBase ID: 243955
• Molecular Formular: C5H10ClN
• Molecular Mass: 119.5926
• Monoisotopic Mass: 119.05017701
• SMILES: C12CC1CCN2.Cl
• Canonical SMILES: C1CC2C(N1)C2.Cl
• InChI: InChI=1S/C5H9N.ClH/c1-2-6-5-3-4(1)5;/h4-6H,1-3H2;1H
• InChIKey: GVKIWNRVZPBLKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azabicyclo[3.1.0]hexane hydrochloride
• IUPAC Traditional name: 2-azabicyclo[3.1.0]hexane hydrochloride
• Synonyms: 2-azabicyclo[3.1.0]hexane hydrochloride

Database IDs

• MDL Number: MFCD22201186
• PubChem SID: 164299865
• PubChem CID: 67358156

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.0756748
• LogD (pH = 7.4): -2.9295628
• Log P: 0.16412601
• Molar Refractivity: 24.6446 cm^3
• Polarizability: 10.013423 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.361

Product Information

• Purity: 95%