2'-Hydroxy-5'-methylacetanilide - ≥98%(HPLC) , CAS No.6375-17-3

CAS: 6375-17-3 Cat. No.: H157096 Fórmula: C₉H₁₁NO₂ Peso molecular: 165.19 Número CE: 228-934-6

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-Acetamido-p-cresol | 2-Acetamido-4-methylphenol | N-(2-Hydroxy-5-methylphenyl)acetamide

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-Acetamido-p-cresol | 2-Acetamido-4-methylphenol | N-(2-Hydroxy-5-methylphenyl)acetamide

Especificações e pureza

≥98%(HPLC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(HPLC)

Nomes e identificadores

• Pubchem Sid: 488189326
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189326
• Sorrisos canónicos: CC1=CC(=C(C=C1)O)NC(=O)C
• IUPAC Name: N-(2-hydroxy-5-methylphenyl)acetamide
• InChIKey: DSEQJUPGRWESKP-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO2/c1-6-3-4-9(12)8(5-6)10-7(2)11/h3-5,12H,1-2H3,(H,10,11)
• SMILES isoméricas: CC1=CC(=C(C=C1)O)NC(=O)C
• Número UN: 2811
• Grupo de embalagem: I
• Peso molecular: 165.19
• Reaxy-Rn: 973880
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=973880&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetanilides
• Alternative Parents: N-acetylarylamines Para cresols Toluenes 1-hydroxy-2-unsubstituted benzenoids Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acetanilide - N-acetylarylamine - P-cresol - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Toluene - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 147-151°C
• Peso molecular: 165.190 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 165.079 Da
• Monoisotopic Mass: 165.079 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 170.000
• 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