3',4'-Dimetilacetanilida - ≥98%(GC) , CAS No.2198-54-1

CAS: 2198-54-1 Cat. No.: D154873 Fórmula: C₁₀H₁₃NO Peso molecular: 163.22 Beilstein Registry Number: 12(4)2507 Número EC: 218-597-3

GRADE & PURITY ≥98%(GC)

Synonyms

3',4'-Dimethylacetanilide | 3,4-Dimethylacetanilide | N-Acetyl-3,4-xylidine | 4-12-00-02507 (Beilstein Handbook Reference) | Diammonium dichromate | 4-Acetamino-o-xylol | FT-0614363 | Chromate of potass | NSC 25232 | Acetamide, N-(3,4-dimethylphenyl)- | A

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

3',4'-Dimethylacetanilide | 3,4-Dimethylacetanilide | N-Acetyl-3,4-xylidine | 4-12-00-02507 (Beilstein Handbook Reference) | Diammonium dichromate | 4-Acetamino-o-xylol | FT-0614363 | Chromate of potass | NSC 25232 | Acetamide, N-(3,4-dimethylphenyl)- | A

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

Pubchem Sid

488185044

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185044

Sonrisas canónicas

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

IUPAC Name

N-(3,4-dimethylphenyl)acetamide

InChIKey

UAOIEEWQVAXCFY-UHFFFAOYSA-N

INCHI

1S/C10H13NO/c1-7-4-5-10(6-8(7)2)11-9(3)12/h4-6H,1-3H3,(H,11,12)

Isómeros SMILES

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

RTECS

AN7500000

Peso molecular

163.22

Beilstein

12(4)2507

Reaxy-Rn

387706

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=387706&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetanilides
• Alternative Parents: N-acetylarylamines o-Xylenes Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acetanilide - N-acetylarylamine - N-arylamide - O-xylene - Xylene - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to 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

Propiedades químicas y físicas

• Punto de fusión (°C): 96-98°C
• Peso molecular: 163.220 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 163.1 Da
• Monoisotopic Mass: 163.1 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 167.000
• 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