bicyclo[2.2.1]heptan-2-ylmethanamine hydrobromide

• ChemBase ID: 17949
• Molecular Formular: C8H16BrN
• Molecular Mass: 206.12334
• Monoisotopic Mass: 205.04661152
• SMILES: C12C(CC(C1)CC2)CN.Br
• Canonical SMILES: NCC1CC2CC1CC2.Br
• InChI: InChI=1S/C8H15N.BrH/c9-5-8-4-6-1-2-7(8)3-6;/h6-8H,1-5,9H2;1H
• InChIKey: NQLBLMXPINDFSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bicyclo[2.2.1]heptan-2-ylmethanamine hydrobromide
• IUPAC Traditional name: bicyclo[2.2.1]heptan-2-ylmethanamine hydrobromide
• Synonyms: C-Bicyclo[2.2.1]hept-2-yl-methylamine hydrobromide

Database IDs

• CAS Number: 14370-50-4
• MDL Number: MFCD08582887
• PubChem SID: 160981256
• PubChem CID: 17139106

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8695484
• LogD (pH = 7.4): -1.4535217
• Log P: 1.1545681
• Molar Refractivity: 38.3578 cm^3
• Polarizability: 15.551486 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false