bicyclo[2.2.1]heptan-1-ylmethanamine hydrochloride

• ChemBase ID: 243714
• Molecular Formular: C8H16ClN
• Molecular Mass: 161.67234
• Monoisotopic Mass: 161.0971272
• SMILES: C12(CC(CC1)CC2)CN.Cl
• Canonical SMILES: NCC12CCC(C2)CC1.Cl
• InChI: InChI=1S/C8H15N.ClH/c9-6-8-3-1-7(5-8)2-4-8;/h7H,1-6,9H2;1H
• InChIKey: NOQQTKRMYUJOCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bicyclo[2.2.1]heptan-1-ylmethanamine hydrochloride
• IUPAC Traditional name: bicyclo[2.2.1]heptan-1-ylmethanamine hydrochloride
• Synonyms: bicyclo[2.2.1]heptan-1-ylmethanamine hydrochloride

Database IDs

• MDL Number: MFCD22578735
• PubChem SID: 164299624
• PubChem CID: 71757324

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7695001
• LogD (pH = 7.4): -1.1477
• Log P: 1.2455498
• Molar Refractivity: 38.2073 cm^3
• Polarizability: 15.551486 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 307 - 309°C
• Hydrophobicity(logP): 2.261

Product Information

• Purity: 95%