N,N'-Bisbenzylidenebenzidine - ≥97% , CAS No.6311-48-4

CAS: 6311-48-4 Cat. No.: N1066595 PubChem CID: 238698

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥97%

Nomes e identificadores

• Sorrisos canónicos: C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=CC4=CC=CC=C4
• IUPAC Name: N-[4-[4-(benzylideneamino)phenyl]phenyl]-1-phenylmethanimine
• InChIKey: QUDPDXGSAOZKNW-UHFFFAOYSA-N
• INCHI: 1S/C26H20N2/c1-3-7-21(8-4-1)19-27-25-15-11-23(12-16-25)24-13-17-26(18-14-24)28-20-22-9-5-2-6-10-22/h1-20H
• SMILES isoméricas: C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=CC4=CC=CC=C4
• CAS alternativo: 6311-48-4
• PubChem CID: 238698
• Número NSC: 43214

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: Benzidines
• Alternative Parents: Shiff bases Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzidine - Shiff base - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Aldimine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Imine - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzidines. These are organic compounds containing the benzidine skeleton, made up of a biphenyl ring system substituted at the 4- and 4'-positions with a unsubstituted amine group.
• 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: 360.400 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 360.163 Da
• Monoisotopic Mass: 360.163 Da
• Topological Polar Surface Area: 24.700 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 437.000
• 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