{3-aminobicyclo[2.2.1]heptan-2-yl}methanol

• ChemBase ID: 276817
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: C1(C(C2CC1CC2)N)CO
• Canonical SMILES: OCC1C2CCC(C1N)C2
• InChI: InChI=1S/C8H15NO/c9-8-6-2-1-5(3-6)7(8)4-10/h5-8,10H,1-4,9H2
• InChIKey: QGMMKSUHQMVLRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-aminobicyclo[2.2.1]heptan-2-yl}methanol
• IUPAC Traditional name: {3-aminobicyclo[2.2.1]heptan-2-yl}methanol
• Synonyms: {3-aminobicyclo[2.2.1]heptan-2-yl}methanol

Database IDs

• MDL Number: MFCD09040742
• PubChem SID: 164332727
• PubChem CID: 2724660

CALCULATED PROPERTIES

• Acid pKa: 15.414064
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.135719
• LogD (pH = 7.4): -2.6902695
• Log P: -0.112640046
• Molar Refractivity: 39.8515 cm^3
• Polarizability: 16.15159 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.81

Product Information

• Purity: 95%