2-Phenylacetamide - ≥98%(N) , CAS No.103-81-1

CAS: 103-81-1 Cat. No.: P160461 Fórmula: C₈H₉NO Peso molecular: 135.17 Beilstein Registry Number: 10(2)117 Número CE: 203-147-0 PubChem CID: 7680

GRADE & PURITY ≥98%(N)

Synonyms

DTXSID1059282 | phenyl acetamide | 46AFC744-1FF7-4816-B1C1-7C9995F369E8 | Benzeneacetamide | benzene-acetamide | NSC1877 | NSC-1877 | SY017094 | CHEBI:16562 | PD155928 | .ALPHA.-PHENYLACETAMIDE [MI] | 2-PHENYLACETAMIDE | 2-phenyl-Acetamide | beta-Phenyl-a

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID1059282 | phenyl acetamide | 46AFC744-1FF7-4816-B1C1-7C9995F369E8 | Benzeneacetamide | benzene-acetamide | NSC1877 | NSC-1877 | SY017094 | CHEBI:16562 | PD155928 | .ALPHA.-PHENYLACETAMIDE [MI] | 2-PHENYLACETAMIDE | 2-phenyl-Acetamide | beta-Phenyl-a

Especificações e pureza

≥98%(N)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(N)

Nomes e identificadores

• Pubchem Sid: 488180524
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180524
• Sorrisos canónicos: C1=CC=C(C=C1)CC(=O)N
• IUPAC Name: 2-phenylacetamide
• InChIKey: LSBDFXRDZJMBSC-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
• SMILES isoméricas: C1=CC=C(C=C1)CC(=O)N
• RTECS: AC7705000
• PubChem CID: 7680
• Peso molecular: 135.17
• Beilstein: 10(2)117
• Reaxy-Rn: 507886

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylacetamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetamides
• Alternative Parents: Primary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylacetamide - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
• External Descriptors: a small molecule

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

Alvos associados (humanos)

Huh-7 (12904 Activities)

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A549 (127892 Activities)

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MDA-MB-231 (73002 Activities)

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Alvos associados (não humanos)

Micrococcus luteus (7463 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Plasmodium falciparum (966862 Activities)

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Artemia (698 Activities)

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Salmonella enterica (1497 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in methanol.
• Ponto de fusão (°C): 156 °C
• Peso molecular: 135.160 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 135.068 Da
• Monoisotopic Mass: 135.068 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 116.000
• 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

Referências

1. Shaoyang Hu, Han Yeong Kaw, Lizhong Zhu, Wei Wang.  (2022)  Formation and Cytotoxicity of Halophenylacetamides: A New Group of Nitrogenous Aromatic Halogenated Disinfection Byproducts in Drinking Water.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:35175050] [10.1021/acs.est.1c08419]

2. Yajun Li, Kui Wu, Lei Liang.  (2019)  Solubility behavior of 2-phenylacetamide in sixteen pure solvents and dissolution properties of solution.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2019.111264]