GRADE & PURITY ≥97%

Synonyms

SY110053 | Benzamide, N-phenyl, 4-amino- | Oprea1_436386 | p-AMINOBENZANILIDE | BENZAMIDE,4-AMINO-N-PHENYL- | EN300-59484 | NSC 50646 | SR-01000389414 | MFCD00017107 | EINECS 212-313-1 | 4-Amino-N-phenylbenzamide | 4-Amino-N-phenyl-benzamide | SR-01000389

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

SY110053 | Benzamide, N-phenyl, 4-amino- | Oprea1_436386 | p-AMINOBENZANILIDE | BENZAMIDE, 4-AMINO-N-PHENYL- | EN300-59484 | NSC 50646 | SR-01000389414 | MFCD00017107 | EINECS 212-313-1 | 4-Amino-N-phenylbenzamide | 4-Amino-N-phenyl-benzamide | SR-01000389

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504754463
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754463
• Sonrisas canónicas: C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N
• IUPAC Name: 4-amino-N-phenylbenzamide
• InChIKey: QHWDUJPWCGEBTH-UHFFFAOYSA-N
• INCHI: 1S/C13H12N2O/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12/h1-9H,14H2,(H,15,16)
• Isómeros SMILES: C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N
• WGK Alemania: 3
• RTECS: CV2335000
• Peso molecular: 212.25
• Reaxy-Rn: 2212452
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212452&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Aminobenzoic acids and derivatives Benzamides Benzoyl derivatives Aniline and substituted anilines Secondary carboxylic acid amides Amino acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Aminobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

Objetivos asociados (humanos)

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

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

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

Discover Target: PTGS2

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 127-131 °C
• Peso molecular: 212.250 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 212.095 Da
• Monoisotopic Mass: 212.095 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 228.000
• 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

Referencias

1. Congcong Yin, Zhe Zhang, Zhenshu Si, Xiansong Shi, Yong Wang.  (2022)  Smart Covalent Organic Frameworks with Intrapore Azobenzene Groups for Light-Gated Ion Transport.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.2c02239]