6-azabicyclo[3.1.0]hexane

• ChemBase ID: 259810
• Molecular Formular: C5H9N
• Molecular Mass: 83.13166
• Monoisotopic Mass: 83.07349929
• SMILES: N1C2C1CCC2
• Canonical SMILES: C1CC2C(C1)N2
• InChI: InChI=1S/C5H9N/c1-2-4-5(3-1)6-4/h4-6H,1-3H2
• InChIKey: YZXVYUZDVBWITQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-azabicyclo[3.1.0]hexane
• IUPAC Traditional name: 6-azabicyclo[3.1.0]hexane
• Synonyms: 6-azabicyclo[3.1.0]hexane

Database IDs

• MDL Number: MFCD11858223
• PubChem SID: 164315720
• PubChem CID: 18616487

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5564388
• LogD (pH = 7.4): 0.13178918
• Log P: 0.6054969
• Molar Refractivity: 24.2068 cm^3
• Polarizability: 10.013423 Å^3
• Polar Surface Area: 21.94 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.131

Product Information

• Purity: 95%