3-hydroxypropanamide

• ChemBase ID: 171201
• Molecular Formular: C3H7NO2
• Molecular Mass: 89.09318
• Monoisotopic Mass: 89.04767847
• SMILES: OCCC(=O)N
• Canonical SMILES: NC(=O)CCO
• InChI: InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)
• InChIKey: SMGLHFBQMBVRCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydroxypropanamide
• IUPAC Traditional name: 3-hydroxypropanamide
• Synonyms: Hydracrylamide; 3-Hydroxypropionamide; 3-hydroxypropanamide

Database IDs

• CAS Number: 2651-43-6
• MDL Number: MFCD04039564
• PubChem SID: 164227111
• PubChem CID: 4145140

CALCULATED PROPERTIES

• Acid pKa: 15.645238
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.6105237
• LogD (pH = 7.4): -1.6105236
• Log P: -1.6105236
• Molar Refractivity: 20.8675 cm^3
• Polarizability: 8.1675 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol; Water
• Apperance: White to Off-White Solid
• Melting Point: 60-62°C
• Hydrophobicity(logP): -1.628

Safety Information

• Storage Condition: Hygroscopic, -20°C Freezer, Under Inert Atmosphere

Product Information

• Purity: 95%