2-{2-azabicyclo[2.2.1]heptan-2-yl}ethan-1-ol

• ChemBase ID: 306655
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: N1(C2CC(C1)CC2)CCO
• Canonical SMILES: OCCN1CC2CC1CC2
• InChI: InChI=1S/C8H15NO/c10-4-3-9-6-7-1-2-8(9)5-7/h7-8,10H,1-6H2
• InChIKey: MZMQCWWTXDQALT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-azabicyclo[2.2.1]heptan-2-yl}ethan-1-ol
• IUPAC Traditional name: 2-{2-azabicyclo[2.2.1]heptan-2-yl}ethanol
• Synonyms: 2-(2-azabicyclo[2.2.1]hept-2-yl)ethanol

Database IDs

• CAS Number: 116585-72-9
• MDL Number: MFCD08059740

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1395085
• LogD (pH = 7.4): -2.0933492
• Log P: 0.3016406
• Molar Refractivity: 40.8326 cm^3
• Polarizability: 16.15159 Å^3
• Polar Surface Area: 23.47 Å^2