N,N'-Diacetyl-3,3'-dimethylbenzidine , CAS No.626583

CAS: 626583 Cat. No.: N1286424 Fórmula: C₁₈H₂₀N₂O₂ Peso molecular: 296.4

Storage

Room temperature

Shipped In

Normal

Specifications

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Nomes e identificadores

• Sorrisos canónicos: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C)C)NC(=O)C
• IUPAC Name: N-[4-(4-acetamido-3-methylphenyl)-2-methylphenyl]acetamide
• InChIKey: YYWOGMJTPSCQAN-UHFFFAOYSA-N
• INCHI: 1S/C18H20N2O2/c1-11-9-15(5-7-17(11)19-13(3)21)16-6-8-18(12(2)10-16)20-14(4)22/h5-10H,1-4H3,(H,19,21)(H,20,22)
• Peso molecular: 296.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Acetanilides N-acetylarylamines Toluenes Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Acetanilide - N-acetylarylamine - Anilide - N-arylamide - Toluene - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Propriedades químicas e físicas

• Peso molecular: 296.400 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 296.152 Da
• Monoisotopic Mass: 296.152 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 372.000
• 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