4-Acetamido-2',3-dimethylazobenzene - ≥98% , CAS No.588-23-8

CAS: 588-23-8 Cat. No.: A151410 Peso molecular: 267.33

GRADE & PURITY ≥98%

Synonyms

N-(2-Methyl-4-[(2-methylphenyl)diazenyl]phenyl)acetamide # | N-{2-methyl-4-[(1E)-2-(2-methylphenyl)diazen-1-yl]phenyl}acetamide | (E)-N-(2-methyl-4-(o-tolyldiazenyl)phenyl)acetamide | DTXSID00340231 | N-Acetyl-o-aminoazotoluene | N-[2-methyl-4-[(2-methylp

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

N-(2-Methyl-4-[(2-methylphenyl)diazenyl]phenyl)acetamide # | N-{2-methyl-4-[(1E)-2-(2-methylphenyl)diazen-1-yl]phenyl}acetamide | (E)-N-(2-methyl-4-(o-tolyldiazenyl)phenyl)acetamide | DTXSID00340231 | N-Acetyl-o-aminoazotoluene | N-[2-methyl-4-[(2-methylp

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC=CC=C1N=NC2=CC(=C(C=C2)NC(=O)C)C
• IUPAC Name: N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]acetamide
• InChIKey: GFMVVEHDEIYWTL-UHFFFAOYSA-N
• INCHI: 1S/C16H17N3O/c1-11-6-4-5-7-16(11)19-18-14-8-9-15(12(2)10-14)17-13(3)20/h4-10H,1-3H3,(H,17,20)
• Isómeros SMILES: CC1=CC=CC=C1N=NC2=CC(=C(C=C2)NC(=O)C)C
• Peso molecular: 267.33
• Reaxy-Rn: 3147445
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3147445&ln=

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 Toluenes 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 - N-acetylarylamine - Anilide - N-arylamide - Toluene - Monocyclic benzene moiety - Benzenoid - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Azo compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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

• Punto de fusión (°C): 187 °C
• Peso molecular: 267.330 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 267.137 Da
• Monoisotopic Mass: 267.137 Da
• Topological Polar Surface Area: 53.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 356.000
• 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