2-hydroxy-2-phenylacetamide

• ChemBase ID: 142232
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: c1ccc(cc1)C(C(=O)N)O
• Canonical SMILES: OC(c1ccccc1)C(=O)N
• InChI: InChI=1S/C8H9NO2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5,7,10H,(H2,9,11)
• InChIKey: MAGPZHKLEZXLNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-2-phenylacetamide
• IUPAC Traditional name: O-hydroxy phenylacetamide
• Synonyms: 2-Hydroxy-2-phenylacetamide; Mandelamide; (±)-Mandelamide; 2-羟基-2-苯乙酰胺; 马来酰亚胺; (±)-扁桃酰胺

Database IDs

• CAS Number: 4410-31-5
• MDL Number: MFCD00025495
• Beilstein Number: 2208677
• PubChem SID: 162236462; 24883604
• PubChem CID: 73558

CALCULATED PROPERTIES

• Acid pKa: 12.470764
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.08889298
• LogD (pH = 7.4): 0.08888935
• Log P: 0.08889303
• Molar Refractivity: 40.526 cm^3
• Polarizability: 15.837317 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 132-135°C; 133-137 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36
• Safety Statements: 26
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: C6H5CH(OH)CONH2

DETAILS

Sigma Aldrich - 648744

Packaging
1, 10 g in glass bottle