5,12-Dibutyl-1,3,8,10-tetramethyquinacridone - ≥97% , CAS No.850815-10-0

CAS: 850815-10-0 Cat. No.: D1300074 Peso molecular: 480.28 PubChem CID: 58900784

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CCCCN1C2=CC(=CC(=C2C(=O)C3=CC4=C(C=C31)C(=O)C5=C(C=C(C=C5N4CCCC)C)C)C)C
• IUPAC Name: 5,12-dibutyl-1,3,8,10-tetramethylquinolino[2,3-b]acridine-7,14-dione
• InChIKey: RVSPZYKDKQUWTO-UHFFFAOYSA-N
• INCHI: 1S/C32H36N2O2/c1-7-9-11-33-25-17-24-26(18-23(25)31(35)29-21(5)13-19(3)15-27(29)33)34(12-10-8-2)28-16-20(4)14-22(6)30(28)32(24)36/h13-18H,7-12H2,1-6H3
• Isómeros SMILES: CCCCN1C2=CC(=CC(=C2C(=O)C3=CC4=C(C=C31)C(=O)C5=C(C=C(C=C5N4CCCC)C)C)C)C
• PubChem CID: 58900784
• Peso molecular: 480.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Benzoquinolines
        • Level5 Acridines
          • Level6 Pyridoacridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Acridines
• Direct Parent: Pyridoacridines
• Alternative Parents: Acridones Hydroquinolones Hydroquinolines Pyridines and derivatives Benzenoids Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridoacridine - Acridone - Dihydroquinolone - Dihydroquinoline - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridoacridines. These are compounds containing a pyridoacridine ring system, which consists of a pyridine fused to an acridine.
• 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: 480.600 g/mol
• XLogP3: 8.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 480.278 Da
• Monoisotopic Mass: 480.278 Da
• Topological Polar Surface Area: 40.600 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 746.000
• 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