3-azabicyclo[3.2.1]octan-8-ol

• ChemBase ID: 248035
• Molecular Formular: C7H13NO
• Molecular Mass: 127.18422
• Monoisotopic Mass: 127.09971404
• SMILES: OC1C2CCC1CNC2
• Canonical SMILES: OC1C2CNCC1CC2
• InChI: InChI=1S/C7H13NO/c9-7-5-1-2-6(7)4-8-3-5/h5-9H,1-4H2
• InChIKey: XPZYBFOYRKOKPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-azabicyclo[3.2.1]octan-8-ol
• IUPAC Traditional name: 3-azabicyclo[3.2.1]octan-8-ol
• Synonyms: 3-azabicyclo[3.2.1]octan-8-ol

Database IDs

• PubChem SID: 164303945
• PubChem CID: 21995476

CALCULATED PROPERTIES

• Acid pKa: 14.616648
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.5927317
• LogD (pH = 7.4): -2.8086944
• Log P: -0.37989765
• Molar Refractivity: 35.4483 cm^3
• Polarizability: 14.310322 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.185

Product Information

• Purity: 95%