5'-Acetamido-2'-hydroxyacetophenone - ≥98%(HPLC) , CAS No.7298-67-1

CAS: 7298-67-1 Cat. No.: A151424 Fórmula: C₁₀H₁₁NO₃ Peso molecular: 193.2 Número EC: 230-735-4

CALIDAD & PUREZA ≥98%(HPLC)

Synonyms

DTXSID00223257 | N-(3-Acetyl-4-hydroxyphenyl)acetamide | N-(3-Acetyl-4-hydroxy-phenyl)acetamide | N-(3-acetyl-4-hydroxy-phenyl)-acetamide | N-(3-acetyl-4-hydroxyphenyl)-acetamide | BBL028201 | MFCD00100490 | 3'-Acetyl-4'-hydroxyacetanilide | Acetanilide,

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

DTXSID00223257 | N-(3-Acetyl-4-hydroxyphenyl)acetamide | N-(3-Acetyl-4-hydroxy-phenyl)acetamide | N-(3-acetyl-4-hydroxy-phenyl)-acetamide | N-(3-acetyl-4-hydroxyphenyl)-acetamide | BBL028201 | MFCD00100490 | 3'-Acetyl-4'-hydroxyacetanilide | Acetanilide,

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

Pubchem Sid

488185999

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185999

Sonrisas canónicas

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

IUPAC Name

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

InChIKey

DIQSYMRVTOVKQT-UHFFFAOYSA-N

INCHI

1S/C10H11NO3/c1-6(12)9-5-8(11-7(2)13)3-4-10(9)14/h3-5,14H,1-2H3,(H,11,13)

Isómeros SMILES

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

Peso molecular

193.2

Reaxy-Rn

2104175

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2104175&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids 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 - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Acetamide - Vinylogous acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Punto de fusión (°C): 168 °C
• Peso molecular: 193.200 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 193.074 Da
• Monoisotopic Mass: 193.074 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 240.000
• 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