4'-(Phenylazo)acetanilide - ≥98% , CAS No.4128-71-6

CAS: 4128-71-6 Cat. No.: P1060396 Fórmula: C₁₄H₁₃N₃O Peso molecular: 239.270 Número EC: 664-121-6

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

CC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2

IUPAC Name

N-(4-phenyldiazenylphenyl)acetamide

InChIKey

WSHHPNYAXLDUTG-UHFFFAOYSA-N

INCHI

1S/C14H13N3O/c1-11(18)15-12-7-9-14(10-8-12)17-16-13-5-3-2-4-6-13/h2-10H,1H3,(H,15,18)

Peso molecular

239.270

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azobenzenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azobenzenes
• Alternative Parents: Acetanilides N-acetylarylamines Acetamides Secondary carboxylic acid amides Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - Acetanilide - Anilide - N-acetylarylamine - N-arylamide - Monocyclic benzene moiety - Benzenoid - Acetamide - Azo compound - Carboxamide group - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring.
• 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

Propiedades químicas y físicas

• Peso molecular: 239.270 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 239.106 Da
• Monoisotopic Mass: 239.106 Da
• Topological Polar Surface Area: 53.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 289.000
• 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