4'-Acetamidoacetophenone - ≥98% , CAS No.2719-21-3

CAS: 2719-21-3 Cat. No.: A151745 Formula: C₁₀H₁₁NO₂ Molecular Weight: 177.2 EC Number: 220-320-6

GRADE & PURITY ≥98%

Synonyms

N-(p-Acetylphenyl)acetamide | SCHEMBL474757 | MFCD00014965 | p-acetamidoacetophenone | UNII-YV24XB4VZ5 | Acetamide, N-(4-acetylphenyl)- | NSC 39449 | CI-982 | DTXSID10181657 | FT-0617374 | NSC39449 | NSC-39449 | AI3-17739 | EINECS 220-320-6 | 4'-(Acetylam

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

N-(p-Acetylphenyl)acetamide | SCHEMBL474757 | MFCD00014965 | p-acetamidoacetophenone | UNII-YV24XB4VZ5 | Acetamide, N-(4-acetylphenyl)- | NSC 39449 | CI-982 | DTXSID10181657 | FT-0617374 | NSC39449 | NSC-39449 | AI3-17739 | EINECS 220-320-6 | 4'-(Acetylam

Specifications & Purity

≥98%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488185190
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185190
• Canonical Smiles: CC(=O)C1=CC=C(C=C1)NC(=O)C
• IUPAC Name: N-(4-acetylphenyl)acetamide
• InChIKey: WECHHDJTILFYQT-UHFFFAOYSA-N
• INCHI: 1S/C10H11NO2/c1-7(12)9-3-5-10(6-4-9)11-8(2)13/h3-6H,1-2H3,(H,11,13)
• Isomeric SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)C
• WGK Germany: 2
• Molecular Weight: 177.2
• Reaxy-Rn: 639749
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=639749&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetanilides N-acetylarylamines Acetophenones Benzoyl derivatives Aryl alkyl ketones Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetanilide - Acetophenone - N-acetylarylamine - Anilide - Benzoyl - N-arylamide - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive
• x_melt_point_char: 166-172°C
• Molecular Weight: 177.200 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 177.079 Da
• Monoisotopic Mass: 177.079 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 205.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Weiyu Zhang, Wenwen Wang, Dong Xie, Jie Li, Hong Li, Jingxuan Dai, Yi Tang, Tianqi Yang, Weiyi Jin, Panpan Zhou, Chenliang Gong.  (2024)  Sulfonating and polyhedral oligomeric silsesquioxane crosslinking in one step to build multiple proton pathways for proton exchange membrane fuel cells over a wide temperature range.  JOURNAL OF POWER SOURCES,      [PMID:] [10.1016/j.jpowsour.2024.235410]

2. Weiyu Zhang, Jie Li, Hong Li, Yi Tang, Tianqi Yang, Xiaofei Ye, Weiyi Jin, Yiming Sun, Yicheng Dong, Xiangdong Zhang, Chenliang Gong.  (2025)  A new pyridine-based porous organic polymer composited high-temperature proton exchange membrane.  Materials Reports: Energy,      [PMID:] [10.1016/j.matre.2025.100354]