4-Methyl-2-[2-(4-methylphenyl)diazenyl]benzenamine - ≥95% , CAS No.58010-91-6

CAS: 58010-91-6 Cat. No.: M698112 Peso molecular: 225.3 Número EC: 663-120-8 PubChem CID: 571869

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC=C(C=C1)N=NC2=C(C=CC(=C2)C)N
• IUPAC Name: 4-methyl-2-[(4-methylphenyl)diazenyl]aniline
• InChIKey: BBVUAJTZGSWJDD-UHFFFAOYSA-N
• INCHI: 1S/C14H15N3/c1-10-3-6-12(7-4-10)16-17-14-9-11(2)5-8-13(14)15/h3-9H,15H2,1-2H3
• Isómeros SMILES: CC1=CC=C(C=C1)N=NC2=C(C=CC(=C2)C)N
• PubChem CID: 571869
• Peso molecular: 225.3

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: Aniline and substituted anilines Aminotoluenes Azo compounds Propargyl-type 1,3-dipolar organic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - Aminotoluene - Aniline or substituted anilines - Toluene - Benzenoid - Monocyclic benzene moiety - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - 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: 225.290 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 225.127 Da
• Monoisotopic Mass: 225.127 Da
• Topological Polar Surface Area: 50.700 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 256.000
• 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