3'-Acetamidoacetophenone - ≥98% , CAS No.7463-31-2

CAS: 7463-31-2 Cat. No.: A108016 Fórmula: C₁₀H₁₁NO₂ Peso molecular: 177.2 Beilstein Registry Number: 2363440 Número CE: 616-120-7

GRAU & PUREZA ≥98%

Synonyms

3 inverted exclamation mark -Acetylacetanilide | EN300-14365 | FT-0614853 | M-acetylaminoacetophenone | 3'-Acetylaminoacetophenone | NSC404340 | NSC-404340 | BP-12324 | N-(3-acetylphenyl)acetamide | N-(3-acetyl-phenyl)-acetamide | SR-01000323024 | NSC 404

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

3 inverted exclamation mark -Acetylacetanilide | EN300-14365 | FT-0614853 | M-acetylaminoacetophenone | 3'-Acetylaminoacetophenone | NSC404340 | NSC-404340 | BP-12324 | N-(3-acetylphenyl)acetamide | N-(3-acetyl-phenyl)-acetamide | SR-01000323024 | NSC 404

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488189576

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189576

Sorrisos canónicos

CC(=O)C1=CC(=CC=C1)NC(=O)C

IUPAC Name

N-(3-acetylphenyl)acetamide

InChIKey

AFZTYHRVDOKRKV-UHFFFAOYSA-N

INCHI

1S/C10H11NO2/c1-7(12)9-4-3-5-10(6-9)11-8(2)13/h3-6H,1-2H3,(H,11,13)

SMILES isoméricas

CC(=O)C1=CC(=CC=C1)NC(=O)C

WGK Alemanha

3

Peso molecular

177.2

Beilstein

2363440

Reaxy-Rn

2363443

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2363443&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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 Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetanilide - Acetophenone - N-acetylarylamine - Anilide - Benzoyl - N-arylamide - Aryl alkyl ketone - Benzenoid - Monocyclic benzene moiety - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Ponto de fusão (°C): 127-130°C
• Peso molecular: 177.200 g/mol
• XLogP3: 1.100
• 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: 213.000
• 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