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

CAS: 103-81-1 Cat. No.: P160461 분자식: C₈H₉NO 분자량: 135.17 Beilstein Registry Number: 10(2)117 EC 번호: 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

동의어

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

사양 및 순도

≥98%(N)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(N)

이름과 식별자

• Pubchem Sid: 488180524
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180524
• 정식 스마일: 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)
• 이성체 SMILES: C1=CC=C(C=C1)CC(=O)N
• RTECS: AC7705000
• PubChem CID: 7680
• 분자량: 135.17
• Beilstein: 10(2)117
• Reaxy-Rn: 507886

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

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Escherichia coli (133304 Activities)

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Plasmodium falciparum (966862 Activities)

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Salmonella enterica (1497 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in methanol.
• 녹는점(°C): 156 °C
• 분자량: 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

참고 문헌

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]