3-azabicyclo[3.3.1]nonan-9-ol

• ChemBase ID: 275694
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: C1(C2CNCC1CCC2)O
• Canonical SMILES: OC1C2CCCC1CNC2
• InChI: InChI=1S/C8H15NO/c10-8-6-2-1-3-7(8)5-9-4-6/h6-10H,1-5H2
• InChIKey: MRDRFUVPXXUBMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-azabicyclo[3.3.1]nonan-9-ol
• IUPAC Traditional name: 3-azabicyclo[3.3.1]nonan-9-ol
• Synonyms: 3-azabicyclo[3.3.1]nonan-9-ol

Database IDs

• MDL Number: MFCD13806413
• PubChem SID: 164331604
• PubChem CID: 18342470

CALCULATED PROPERTIES

• Acid pKa: 14.616683
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.1525033
• LogD (pH = 7.4): -2.424169
• Log P: 0.064671
• Molar Refractivity: 40.0493 cm^3
• Polarizability: 16.15159 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.744

Product Information

• Purity: 95%