N-hydroxyhexanamide

• ChemBase ID: 264847
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: C(=O)(NO)CCCCC
• Canonical SMILES: CCCCCC(=O)NO
• InChI: InChI=1S/C6H13NO2/c1-2-3-4-5-6(8)7-9/h9H,2-5H2,1H3,(H,7,8)
• InChIKey: FWPKDESKJMMUSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxyhexanamide
• IUPAC Traditional name: hexanamide, N-hydroxy-
• Synonyms: N-hydroxyhexanamide

Database IDs

• MDL Number: MFCD00019946
• PubChem SID: 164320757
• PubChem CID: 78005

CALCULATED PROPERTIES

• Acid pKa: 8.907538
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.0006027
• LogD (pH = 7.4): 0.98754317
• Log P: 1.0007718
• Molar Refractivity: 34.6604 cm^3
• Polarizability: 13.634642 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.522

Product Information

• Purity: 95%