2-hydroxy-2-methylpropanamide

• ChemBase ID: 291949
• Molecular Formular: C4H9NO2
• Molecular Mass: 103.11976
• Monoisotopic Mass: 103.06332853
• SMILES: CC(C)(O)C(=O)N
• Canonical SMILES: NC(=O)C(O)(C)C
• InChI: InChI=1S/C4H9NO2/c1-4(2,7)3(5)6/h7H,1-2H3,(H2,5,6)
• InChIKey: DRYMMXUBDRJPDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-2-methylpropanamide
• IUPAC Traditional name: 2-hydroxy-2-methylpropanamide
• Synonyms: 2-Hydroxy-2-methylpropanamide

Database IDs

• CAS Number: 13027-88-8
• MDL Number: MFCD08063365
• PubChem SID: 180677480
• PubChem CID: 83059

CALCULATED PROPERTIES

• Acid pKa: 13.323662
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.8460063
• LogD (pH = 7.4): -0.84600675
• Log P: -0.8460063
• Molar Refractivity: 25.3753 cm^3
• Polarizability: 9.982835 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%