Quinacridon - ≥99% , CAS No.1047-16-1

CAS: 1047-16-1 Cat. No.: Q121298 Summenformel: C₂₀H₁₂N₂O₂ Molekulargewicht: 312.33 Beilstein Registry Number: 24(5)8,581 EG-Nummer: 213-879-2 PubChem CID: 13976

GRADE & PURITY ≥99%

Synonyms

Quinacridone (purified by sublimation) | Quinolino[2,3-b]acridine-7,14(5H,12H)-dione | A801043 | CI 46500 | Permanent Red E 3B | UNII-11P487375P | SCHEMBL92077 | SUNFAST QUINACRIDONE VIOLET | STL522998 | C.I. 46500 | Cinquasia Violet | Q418071 | quinacrid

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

Quinacridone (purified by sublimation) | Quinolino[2,3-b]acridine-7,14(5H,12H)-dione | A801043 | CI 46500 | Permanent Red E 3B | UNII-11P487375P | SCHEMBL92077 | SUNFAST QUINACRIDONE VIOLET | STL522998 | C.I. 46500 | Cinquasia Violet | Q418071 | quinacrid

Spezifikationen & Reinheit

≥99%

Storage

Protected from light,Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

504752511

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752511

Kanonisches Lächeln

C1=CC=C2C(=C1)C(=O)C3=CC4=C(C=C3N2)C(=O)C5=CC=CC=C5N4

IUPAC Name

5,12-dihydroquinolino[2,3-b]acridine-7,14-dione

InChIKey

NRCMAYZCPIVABH-UHFFFAOYSA-N

INCHI

1S/C20H12N2O2/c23-19-11-5-1-3-7-15(11)21-17-10-14-18(9-13(17)19)22-16-8-4-2-6-12(16)20(14)24/h1-10H,(H,21,23)(H,22,24)

Isomere SMILES

C1=CC=C2C(=C1)C(=O)C3=CC4=C(C=C3N2)C(=O)C5=CC=CC=C5N4

RTECS

VA8533500

PubChem CID

13976

Molekulargewicht

312.33

Beilstein

24(5)8,581

Reaxy-Rn

293631

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Quinolines and derivatives
      • Subclass Benzoquinolines
        • Ebene5 Acridines
          • Ebene6 Pyridoacridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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 Organopnictogen 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 - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air and Light sensitive
• Schmelzpunkt (°C): 390°C
• Molekulargewicht: 312.300 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 312.09 Da
• Monoisotopic Mass: 312.09 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 500.000
• 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