オキサニリド - ≥98% , CAS No.620-81-5

CAS: 620-81-5 Cat. No.: O108455 分子式: C₁₄H₁₂N₂O₂ 分子量: 240.26

GRADE & PURITY ≥98%

Synonyms

EINECS 210-653-5 | D91795 | N,N'-Diphenyl Ethanediamide | AN528D9TLC | DTXSID0060723 | MFCD00041758 | Oxalanilide | F0176-0208 | Ethanediamide, N1,N2-diphenyl- | Oxamide, N,N'-diphenyl- | Oxanilid | 4-12-00-00463 (Beilstein Handbook Reference) | AKOS00103

Storage

Room temperature

Shipped In

ノーマル

Specifications

同義語

EINECS 210-653-5 | D91795 | N,N'-Diphenyl Ethanediamide | AN528D9TLC | DTXSID0060723 | MFCD00041758 | Oxalanilide | F0176-0208 | Ethanediamide, N1,N2-diphenyl- | Oxamide, N,N'-diphenyl- | Oxanilid | 4-12-00-00463 (Beilstein Handbook Reference) | AKOS00103

仕様と純度

≥98%

保管条件

Room temperature

入荷

ノーマル

純度

≥98%

名前と識別子

• パブケム・シド: 488184280
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488184280
• カノニカル・スマイル: C1=CC=C(C=C1)NC(=O)C(=O)NC2=CC=CC=C2
• IUPAC Name: N,N'-diphenyloxamide
• InChIKey: FTWUXYZHDFCGSV-UHFFFAOYSA-N
• INCHI: 1S/C14H12N2O2/c17-13(15-11-7-3-1-4-8-11)14(18)16-12-9-5-2-6-10-12/h1-10H,(H,15,17)(H,16,18)
• 異性体SMILES: C1=CC=C(C=C1)NC(=O)C(=O)NC2=CC=CC=C2
• RTECS: KH8368000
• 分子量: 240.26
• Reaxy-Rn: 1645104
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1645104&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Anilides N-arylamides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid amide - Anilide - N-arylamide - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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

関連ターゲット（人間）

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BCHE Tclin Butyrylcholinesterase (7174 Activities)

Discover Target: BCHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CES2 Tchem Carboxylesterase 2 (583 Activities)

Discover Target: CES2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)

Discover Target: CES1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 感度: Moisture sensitive.
• 沸点（°C）: 360°C
• 融点（°C）: 254°C
• 分子量: 240.260 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 240.09 Da
• Monoisotopic Mass: 240.09 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 262.000
• 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

参考文献

1. Zhongzhe Wei, Guanglu Dong, Long Zhao, Songtao Huang, Molin Xia, Wei Huang, Ming Jiang, Zhixiang Yang, Zihao Yao, Jianfeng Li, Jianguo Wang.  (2024)  Enhanced resistance to poisoning of Pd in alkynes semi-hydrogenation by metal–ligand electronic interactions.  AICHE JOURNAL,      [PMID:] [10.1002/aic.18687]

2. Han Cui, Qiwei Zhang, Shan Qiu.  (2025)  Anodic Catalytic Oxidation of Sulfamethoxazole: Efficiency and Mechanism on Co3O4 Nanowire Self-Assembled CoFe2O4 Nanosheet Heterojunction.  Catalysts,  15  (9): (854).  [PMID:] [10.3390/catal15090854]