Disperse Orange 3 methacrylamide - technical grade , CAS No.58142-15-7

CAS: 58142-15-7 Cat. No.: D476824 Fórmula: NO₂C₆H₄N=NC₆H₄NHCOC(CH₃)=CH₂ Peso molecular: 310.31 Número EC: 685-702-0 PubChem CID: 4574980

GRADE & PURITY Technical grade

Synonyms

SCHEMBL10070045 | SCHEMBL9551055 | Disperse Orange 3 methacrylamide | TZNAGCCEDCKZMV-UHFFFAOYSA-N | DTXSID50404418 | Disperse Orange 3 methacrylamide, technical grade | 2-methyl-N-[4-[(4-nitrophenyl)diazenyl]phenyl]prop-2-enamide

Storage

Room temperature

Specifications

Sinónimos

SCHEMBL10070045 | SCHEMBL9551055 | Disperse Orange 3 methacrylamide | TZNAGCCEDCKZMV-UHFFFAOYSA-N | DTXSID50404418 | Disperse Orange 3 methacrylamide, technical grade | 2-methyl-N-[4-[(4-nitrophenyl)diazenyl]phenyl]prop-2-enamide

Especificaciones y pureza

technical grade

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Grado técnico

Nombres e identificadores

Sonrisas canónicas

CC(=C)C(=O)NC1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]

IUPAC Name

2-methyl-N-[4-[(4-nitrophenyl)diazenyl]phenyl]prop-2-enamide

InChIKey

TZNAGCCEDCKZMV-UHFFFAOYSA-N

INCHI

1S/C16H14N4O3/c1-11(2)16(21)17-12-3-5-13(6-4-12)18-19-14-7-9-15(10-8-14)20(22)23/h3-10H,1H2,2H3,(H,17,21)

Isómeros SMILES

CC(=C)C(=O)NC1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]

PubChem CID

4574980

Peso molecular

310.31

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: Nitrobenzenes Anilides Nitroaromatic compounds N-arylamides Secondary carboxylic acid amides Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Monocyclic benzene moiety - Benzenoid - Azo compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organic oxoazanium - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - 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 inflamación (°F): Not applicable
• Punto de inflamación (°C): Not applicable
• Punto de fusión (°C): 199-204℃ (dec.) (lit.)
• Peso molecular: 310.310 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 310.107 Da
• Monoisotopic Mass: 310.107 Da
• Topological Polar Surface Area: 99.600 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 470.000
• 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