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

CAS: 7463-31-2 Cat. No.: A108016 분자식: C₁₀H₁₁NO₂ 분자량: 177.2 Beilstein Registry Number: 2363440 EC 번호: 616-120-7

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488189576

Pubchem Sid Url

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

정식 스마일

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)

이성체 SMILES

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

WGK 독일

3

분자량

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 녹는점(°C): 127-130°C
• 분자량: 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