8-azabicyclo[3.2.1]octan-3-ylmethanol

• ChemBase ID: 281583
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: N1C2CC(CC1CC2)CO
• Canonical SMILES: OCC1CC2CCC(C1)N2
• InChI: InChI=1S/C8H15NO/c10-5-6-3-7-1-2-8(4-6)9-7/h6-10H,1-5H2
• InChIKey: LONCBIYESAZYOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13196393
• PubChem SID: 180667114
• PubChem CID: 45792697

CALCULATED PROPERTIES

• Acid pKa: 15.466224
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.1287146
• LogD (pH = 7.4): -2.9841294
• Log P: 0.111113474
• Molar Refractivity: 40.1171 cm^3
• Polarizability: 16.15159 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.219

Product Information

• Purity: 95%