Solvent Yellow 44 - ≥97% , CAS No.2478-20-8

CAS: 2478-20-8 Cat. No.: S1066535 Peso molecular: 316.4 Número EC: 219-607-9 PubChem CID: 75589

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)N)C=CC=C4C2=O)C
• IUPAC Name: 6-amino-2-(2,4-dimethylphenyl)benzo[de]isoquinoline-1,3-dione
• InChIKey: FQLZTPSAVDHUKS-UHFFFAOYSA-N
• INCHI: 1S/C20H16N2O2/c1-11-6-9-17(12(2)10-11)22-19(23)14-5-3-4-13-16(21)8-7-15(18(13)14)20(22)24/h3-10H,21H2,1-2H3
• Isómeros SMILES: CC1=CC(=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)N)C=CC=C4C2=O)C
• CAS alternativo: 2478-20-8,144246-02-6
• PubChem CID: 75589
• Términos de entrada MeSH: FD and C Yellow 11;Nacelan Brilliant Yellow 6 GF;Plastic Yellow FGP(No. 56200)
• Peso molecular: 316.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Isoquinolines and derivatives
      • Subclass Isoquinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Isoquinolines and derivatives
• Subclass: Isoquinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolones and derivatives
• Alternative Parents: Naphthalenes m-Xylenes Pyridinones Heteroaromatic compounds Lactams Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinolone - Naphthalene - Xylene - M-xylene - Pyridinone - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Lactam - Azacycle - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
• 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: 316.400 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 316.121 Da
• Monoisotopic Mass: 316.121 Da
• Topological Polar Surface Area: 63.400 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 534.000
• 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