N-(2-((2-Chloro-4,6-dinitrophenyl)azo)-5-(diethylamino)phenyl)acetamide , CAS No.66557-45-7

CAS: 66557-45-7 Cat. No.: N1016095 Peso molecular: 434.800 Número EC: 266-405-1

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C
• IUPAC Name: N-[2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)phenyl]acetamide
• InChIKey: YREBUQFUGONNSP-UHFFFAOYSA-N
• INCHI: 1S/C18H19ClN6O5/c1-4-23(5-2)12-6-7-15(16(9-12)20-11(3)26)21-22-18-14(19)8-13(24(27)28)10-17(18)25(29)30/h6-10H,4-5H2,1-3H3,(H,20,26)
• Peso molecular: 434.800

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 Nitrobenzenes Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds Chlorobenzenes Aryl chlorides Acetamides Secondary carboxylic acid amides Amino acids and derivatives Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Carbonyl compounds Organic zwitterions Organochlorides Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - Acetanilide - Nitrobenzene - N-acetylarylamine - Anilide - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - N-arylamide - Dialkylarylamine - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Benzenoid - Acetamide - C-nitro compound - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Azo compound - Tertiary amine - Organic oxoazanium - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organic salt - Organic oxide - 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: 434.800 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 434.111 Da
• Monoisotopic Mass: 434.111 Da
• Topological Polar Surface Area: 149.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 650.000
• 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