N-(4-acetamidophenyl)acetamide

• ChemBase ID: 108389
• Molecular Formular: C10H12N2O2
• Molecular Mass: 192.21448
• Monoisotopic Mass: 192.08987763
• SMILES: CC(=O)Nc1ccc(NC(=O)C)cc1
• Canonical SMILES: CC(=O)Nc1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C10H12N2O2/c1-7(13)11-9-3-5-10(6-4-9)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)
• InChIKey: KVEDKKLZCJBVNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-acetamidophenyl)acetamide
• IUPAC Traditional name: N-(4-acetamidophenyl)acetamide
• Synonyms: N,N'-Diacetyl-p-phenylenediamine; N,N'-p-Phenylenebisacetamide; 1,4-DIACETAMINOBENZENE; N,N'-对苯乙烯二乙酰胺

Database IDs

• CAS Number: 140-50-1
• EC Number: 205-417-3
• MDL Number: MFCD00026142
• Beilstein Number: 2806271
• PubChem SID: 162095653
• PubChem CID: 67324

CALCULATED PROPERTIES

• Acid pKa: 14.216906
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.44866654
• LogD (pH = 7.4): 0.44866648
• Log P: 0.44866654
• Molar Refractivity: 55.784 cm^3
• Polarizability: 20.095201 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300°C

Safety Information

• RTECS: AC7709500
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05207182

MP Biomedicals Rare Chemical collection