azepan-2-ylmethanol

• ChemBase ID: 310809
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1C(CO)CCCCC1
• Canonical SMILES: OCC1CCCCCN1
• InChI: InChI=1S/C7H15NO/c9-6-7-4-2-1-3-5-8-7/h7-9H,1-6H2
• InChIKey: SAHMJQZPPPFESV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: azepan-2-ylmethanol
• IUPAC Traditional name: azepan-2-ylmethanol
• Synonyms: 2-azepanylmethanol

Database IDs

• CAS Number: 19168-71-9
• MDL Number: MFCD00457605

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.7527776
• LogD (pH = 7.4): -2.1404424
• Log P: 0.47172138
• Molar Refractivity: 37.3989 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 32.26 Å^2