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

CAS: 7463-31-2 Cat. No.: A108016 分子式: C₁₀H₁₁NO₂ 分子量: 177.2 Beilstein Registry Number: 2363440 EC番号: 616-120-7

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488189576

パブケム・シド・ウル

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

カノニカル・スマイル

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)

異性体SMILES

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

WGKドイツ

3

分子量

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
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 融点（°C）: 127-130°C
• 分子量: 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