N-hydroxy-2,2-dimethylpropanamide

• ChemBase ID: 270232
• Molecular Formular: C5H11NO2
• Molecular Mass: 117.14634
• Monoisotopic Mass: 117.0789786
• SMILES: C(=O)(C(C)(C)C)NO
• Canonical SMILES: ONC(=O)C(C)(C)C
• InChI: InChI=1S/C5H11NO2/c1-5(2,3)4(7)6-8/h8H,1-3H3,(H,6,7)
• InChIKey: ATDOYFPHCIRHKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxy-2,2-dimethylpropanamide
• IUPAC Traditional name: N-hydroxy-2,2-dimethylpropanamide
• Synonyms: N-hydroxy-2,2-dimethylpropanamide

Database IDs

• MDL Number: MFCD01936065
• PubChem SID: 164326142
• PubChem CID: 303148

CALCULATED PROPERTIES

• LogD (pH = 5.5): 0.76587206
• LogD (pH = 7.4): 0.75089955
• Log P: 0.7660664
• Molar Refractivity: 29.9329 cm^3
• Polarizability: 11.806096 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 8.847166
• H Acceptors: 2
• H Donor: 2

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): -0.357

Product Information

• Purity: 95%