(5S)-1-azabicyclo[3.3.1]nonan-3-ol

• ChemBase ID: 243537
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: N12C[C@H](CC(C1)O)CCC2
• Canonical SMILES: OC1C[C@@H]2CCCN(C1)C2
• InChI: InChI=1S/C8H15NO/c10-8-4-7-2-1-3-9(5-7)6-8/h7-8,10H,1-6H2/t7-,8?/m0/s1
• InChIKey: DRLCBKGAHHDWTQ-JAMMHHFISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5S)-1-azabicyclo[3.3.1]nonan-3-ol
• IUPAC Traditional name: (5S)-1-azabicyclo[3.3.1]nonan-3-ol
• Synonyms: (5S)-1-azabicyclo[3.3.1]nonan-3-ol

Database IDs

• MDL Number: MFCD22578694
• PubChem SID: 164299447
• PubChem CID: 71757275

CALCULATED PROPERTIES

• Acid pKa: 14.8774605
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0447307
• LogD (pH = 7.4): -1.6592189
• Log P: 0.3016406
• Molar Refractivity: 40.8326 cm^3
• Polarizability: 16.15159 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.4

Product Information

• Purity: 95%