4-hydroxybutanamide

• ChemBase ID: 285577
• Molecular Formular: C4H9NO2
• Molecular Mass: 103.11976
• Monoisotopic Mass: 103.06332853
• SMILES: C(=O)(N)CCCO
• Canonical SMILES: OCCCC(=O)N
• InChI: InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)
• InChIKey: LOESDOAIWSCMKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxybutanamide
• IUPAC Traditional name: 4-hydroxybutanamide
• Synonyms: 4-hydroxybutanamide

Database IDs

• MDL Number: MFCD19203449
• PubChem SID: 180671108
• PubChem CID: 13562

CALCULATED PROPERTIES

• Acid pKa: 15.835401
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.3218626
• LogD (pH = 7.4): -1.3218625
• Log P: -1.3218625
• Molar Refractivity: 25.6225 cm^3
• Polarizability: 9.982835 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 42 - 44°C
• Hydrophobicity(logP): -1.317

Product Information

• Purity: 95%