2-phenylacetamide

• ChemBase ID: 52186
• Molecular Formular: C8H9NO
• Molecular Mass: 135.16316
• Monoisotopic Mass: 135.06841391
• SMILES: C(=O)(Cc1ccccc1)N
• Canonical SMILES: NC(=O)Cc1ccccc1
• InChI: InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
• InChIKey: LSBDFXRDZJMBSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylacetamide
• IUPAC Traditional name: phenylacetamide
• Synonyms: 2-Phenylacetamide; 2-Phenylacetamide

Database IDs

• CAS Number: 103-81-1
• EC Number: 203-147-0
• MDL Number: MFCD00059193
• PubChem SID: 162056949
• PubChem CID: 7680

CALCULATED PROPERTIES

• Acid pKa: 16.495611
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.8040515
• LogD (pH = 7.4): 0.8040515
• Log P: 0.8040515
• Molar Refractivity: 39.1878 cm^3
• Polarizability: 15.216417 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155°C; 156°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• RTECS: AC7705000
• European Hazard Symbols: X
• Risk Statements: 22-36
• Safety Statements: 26-36-60
• TSCA Listed: false; 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H319
• GHS Precautionary statements: P280-P301+P310-P305+P351+P338-P321-P405-P501A

Product Information

• Purity: 98%; 99%