bicyclo[2.2.1]heptan-2-amine

• ChemBase ID: 307604
• Molecular Formular: C7H13N
• Molecular Mass: 111.18482
• Monoisotopic Mass: 111.10479942
• SMILES: C12C(CC(C1)CC2)N
• Canonical SMILES: NC1CC2CC1CC2
• InChI: InChI=1S/C7H13N/c8-7-4-5-1-2-6(7)3-5/h5-7H,1-4,8H2
• InChIKey: JEPPYVOSGKWVSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bicyclo[2.2.1]heptan-2-amine
• IUPAC Traditional name: bicyclo[2.2.1]heptan-2-amine
• Synonyms: bicyclo[2.2.1]hept-2-ylamine

Database IDs

• CAS Number: 822-98-0
• MDL Number: MFCD00167748

CALCULATED PROPERTIES

• LogD (pH = 7.4): -1.8397852
• Log P: 0.917509
• Molar Refractivity: 33.55 cm^3
• Polarizability: 13.705201 Å^3
• Polar Surface Area: 26.02 Å^2
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1107802