N-(4-acetylphenyl)acetamide

• ChemBase ID: 89186
• Molecular Formular: C10H11NO2
• Molecular Mass: 177.19984
• Monoisotopic Mass: 177.0789786
• SMILES: N(c1ccc(cc1)C(=O)C)C(=O)C
• Canonical SMILES: CC(=O)Nc1ccc(cc1)C(=O)C
• InChI: InChI=1S/C10H11NO2/c1-7(12)9-3-5-10(6-4-9)11-8(2)13/h3-6H,1-2H3,(H,11,13)
• InChIKey: WECHHDJTILFYQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-acetylphenyl)acetamide
• IUPAC Traditional name: acetamide, N-(4-acetylphenyl)-
• Synonyms: N-(4-acetylphenyl)acetamide; N-(4-Acetylphenyl)acetamide; 1-[4-(Acetylamino)phenyl]ethan-1-one; 4'-Acetamidoacetophenone 98%; 4′-Acetylacetanilide; 4-Acetamidoacetophenone; 4′-Acetamidoacetophenone; 4'-Acetylacetanilide; N,4-Diacetylaniline; 4'-Acetamidoacetophenone; 4-乙酰胺苯乙酮; 4′-乙酰胺苯乙酮; 对乙酰氨基苯乙酮; 4′-乙酰胺基苯乙酮; 4-乙酰胺苯乙酮

Database IDs

• CAS Number: 2719-21-3
• EC Number: 220-320-6
• MDL Number: MFCD00014965
• Beilstein Number: 639749
• PubChem SID: 162076069; 24882415
• PubChem CID: 75937

CALCULATED PROPERTIES

• Acid pKa: 13.807572
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7686037
• LogD (pH = 7.4): 0.76860356
• Log P: 0.7686037
• Molar Refractivity: 51.3238 cm^3
• Polarizability: 18.941814 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164-166°C; 166-170 °C(lit.); 166-172°C; 171 - 173°C
• Hydrophobicity(logP): 1.069

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38; 43
• Safety Statements: 26-37; 37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H317
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 95%; 97%; 98%
• Linear Formula: CH3CONHC6H4COCH3

DETAILS

Sigma Aldrich - 631361

Packaging
5, 25 g in glass bottle