2-amino-N-hydroxy-2-phenylacetamide

• ChemBase ID: 41826
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: C(=O)(C(c1ccccc1)N)NO
• Canonical SMILES: ONC(=O)C(c1ccccc1)N
• InChI: InChI=1S/C8H10N2O2/c9-7(8(11)10-12)6-4-2-1-3-5-6/h1-5,7,12H,9H2,(H,10,11)
• InChIKey: GCRNUSPMADOFNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-hydroxy-2-phenylacetamide
• IUPAC Traditional name: 2-amino-N-hydroxy-2-phenylacetamide
• Synonyms: 2-Amino-N-hydroxy-2-phenylacetamide

Database IDs

• CAS Number: 105985-16-8
• MDL Number: MFCD00243468
• PubChem SID: 162046589
• PubChem CID: 2735348

CALCULATED PROPERTIES

• Acid pKa: 8.730137
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.867768
• LogD (pH = 7.4): -0.33862987
• Log P: -0.20679736
• Molar Refractivity: 43.9481 cm^3
• Polarizability: 17.368124 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 170 - 172 °C; 170-172°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%