2-azabicyclo[2.2.1]heptane

• ChemBase ID: 294203
• Molecular Formular: C6H11N
• Molecular Mass: 97.15824
• Monoisotopic Mass: 97.08914936
• SMILES: C1CC2CC1CN2
• Canonical SMILES: C1CC2CC1NC2
• InChI: InChI=1S/C6H11N/c1-2-6-3-5(1)4-7-6/h5-7H,1-4H2
• InChIKey: GYLMCBOAXJVARF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azabicyclo[2.2.1]heptane
• IUPAC Traditional name: 2-azabicyclo[2.2.1]heptane
• Synonyms: 2-Azabicyclo[2.2.1]heptane

Database IDs

• CAS Number: 279-24-3
• MDL Number: MFCD05864542
• PubChem SID: 180679734
• PubChem CID: 78963

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.6320963
• LogD (pH = 7.4): -2.5450666
• Log P: 0.6086947
• Molar Refractivity: 29.2456 cm^3
• Polarizability: 11.859141 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%