N-(4-Hydroxy-2-methylphenyl)acetamide , CAS No.39495-15-3

CAS: 39495-15-3 Cat. No.: N1051783 Fórmula: C₉H₁₁NO₂ Peso molecular: 165.190 Número CE: EINECS254-474-0

Storage

Room temperature

Specifications

Condições de armazenamento de armazenamento

Room temperature

Nomes e identificadores

Sorrisos canónicos

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

IUPAC Name

N-(4-hydroxy-2-methylphenyl)acetamide

InChIKey

JPLCVGBNQZNQBO-UHFFFAOYSA-N

INCHI

1S/C9H11NO2/c1-6-5-8(12)3-4-9(6)10-7(2)11/h3-5,12H,1-2H3,(H,10,11)

Peso molecular

165.190

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 Meta 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 - M-cresol - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen 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

Propriedades químicas e físicas

• Peso molecular: 165.190 g/mol
• XLogP3: 0.200
• 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

Perguntas frequentes

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 39495-15-3, the molecular formula is C9H11NO2, and the molecular weight is 165.190 g/mol. InChIKey JPLCVGBNQZNQBO-UHFFFAOYSA-N.