3-azabicyclo[3.2.1]octane hydrochloride

• ChemBase ID: 236055
• Molecular Formular: C7H14ClN
• Molecular Mass: 147.64576
• Monoisotopic Mass: 147.08147713
• SMILES: N1CC2CC(CC2)C1.Cl
• Canonical SMILES: N1CC2CCC(C1)C2.Cl
• InChI: InChI=1S/C7H13N.ClH/c1-2-7-3-6(1)4-8-5-7;/h6-8H,1-5H2;1H
• InChIKey: LYOOHTXASHKGPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-azabicyclo[3.2.1]octane hydrochloride
• IUPAC Traditional name: 3-azabicyclo[3.2.1]octane hydrochloride
• Synonyms: 3-azabicyclo[3.2.1]octane hydrochloride

Database IDs

• MDL Number: MFCD22196503
• PubChem SID: 164291965
• PubChem CID: 22923661

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.311252
• LogD (pH = 7.4): -1.9563559
• Log P: 0.9237074
• Molar Refractivity: 33.9764 cm^3
• Polarizability: 13.705201 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.249

Product Information

• Purity: 95%