N-methyl-2-phenylacetamide

• ChemBase ID: 41134
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: C(=O)(NC)Cc1ccccc1
• Canonical SMILES: CNC(=O)Cc1ccccc1
• InChI: InChI=1S/C9H11NO/c1-10-9(11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)
• InChIKey: RKEXPBCMGJAOLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-phenylacetamide
• IUPAC Traditional name: N-methyl-2-phenylacetamide
• Synonyms: N-Methyl-2-phenylacetamide

Database IDs

• CAS Number: 6830-82-6
• MDL Number: MFCD00051354
• PubChem SID: 162045897
• PubChem CID: 81274

CALCULATED PROPERTIES

• Acid pKa: 16.130424
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.0277276
• LogD (pH = 7.4): 1.0277276
• Log P: 1.0277276
• Molar Refractivity: 44.0845 cm^3
• Polarizability: 17.060349 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 53-58°C; 58 - 60 °C; 58-60°C

Safety Information

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

Product Information

• Purity: >95%