3-azabicyclo[3.1.0]hexane

• ChemBase ID: 260873
• Molecular Formular: C5H9N
• Molecular Mass: 83.13166
• Monoisotopic Mass: 83.07349929
• SMILES: C1C2C1CNC2
• Canonical SMILES: N1CC2C(C1)C2
• InChI: InChI=1S/C5H9N/c1-4-2-6-3-5(1)4/h4-6H,1-3H2
• InChIKey: HGWUUOXXAIISDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-azabicyclo[3.1.0]hexane
• IUPAC Traditional name: 3-azabicyclo[3.1.0]hexane
• Synonyms: 3-azabicyclo[3.1.0]hexane

Database IDs

• CAS Number: 285-59-6
• MDL Number: MFCD10696889
• PubChem SID: 164316783
• PubChem CID: 13150523

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.205943
• LogD (pH = 7.4): -3.1014907
• Log P: 0.03457008
• Molar Refractivity: 24.7744 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): 0.131

Product Information

• Purity: 95%; 98%