4'-Acetamido-2'-methylacetophenone - ≥98% , CAS No.34956-31-5

CAS: 34956-31-5 Cat. No.: A151425 Formule: C₁₁H₁₃NO₂ Poids moléculaire: 191.23 Numéro CE: 681-984-4

QUALITÉ & PURETÉ ≥98%

Synonyms

MFCD02258876 | SCHEMBL3326689 | N-(4-Acetyl-3-methylphenyl)acetamide | PS-3018 | DTXSID10372028 | SY050888 | 4 inverted exclamation mark -Acetamido-2 inverted exclamation mark -methylacetophenone | 4'-Acetamido-2'-methylacetophenone | 4-ACETAMIDO-2-METHYL

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

4′-Acetamido-2′-methylacetophenone (4-acetamido-2-methylacetophenone) can be prepared by treating m-methylacetanilide with acetyl chloride in the presence of aluminum chloride in carbon disulfide.

Spécifications

Synonymes

MFCD02258876 | SCHEMBL3326689 | N-(4-Acetyl-3-methylphenyl)acetamide | PS-3018 | DTXSID10372028 | SY050888 | 4 inverted exclamation mark -Acetamido-2 inverted exclamation mark -methylacetophenone | 4'-Acetamido-2'-methylacetophenone | 4-ACETAMIDO-2-METHYL

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Sourires canoniques

CC1=C(C=CC(=C1)NC(=O)C)C(=O)C

IUPAC Name

N-(4-acetyl-3-methylphenyl)acetamide

InChIKey

PTARWPNYVATTDE-UHFFFAOYSA-N

INCHI

1S/C11H13NO2/c1-7-6-10(12-9(3)14)4-5-11(7)8(2)13/h4-6H,1-3H3,(H,12,14)

Isomères SMILES

CC1=C(C=CC(=C1)NC(=O)C)C(=O)C

WGK Allemagne

3

Poids moléculaire

191.23

Reaxy-Rn

2099239

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2099239&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 Toluenes 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 - Aryl alkyl ketone - N-arylamide - Toluene - Monocyclic benzene moiety - Benzenoid - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen 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

Propriétés chimiques et physiques

• Solubilité: Soluble in Methanol
• Point de fusion (°C): 137-140°C
• Poids moléculaire: 191.230 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 191.095 Da
• Monoisotopic Mass: 191.095 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 237.000
• 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