1,1′-Diethyl-4,4′-cyanine iodide - ≥98% , CAS No.4727-49-5

CAS: 4727-49-5 Cat. No.: D346785 Peso molecular: 454.35 Número EC: 225-223-2 PubChem CID: 11947729

GRADE & PURITY ≥98%

Synonyms

AKOS024386551 | (4E)-1-ethyl-4-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline;iodide | (4Z)-1-ethyl-4-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline;iodide | 1-Ethyl-4-((1-ethyl-4(1H)-quinolylidene)methyl)quinolinium iodide | (E)-1-Ethyl-4-((1-eth

Storage

Protected from light,Room temperature

Shipped In

Normal

Descripción general

1,1'-Diethyl-4,4'-cyanine iodide is a member of the cyanine family of fluorescent dyes that are useful for biomedical imaging. Members of this family have been shown to intercalate with DNA, inhibit Tau aggregation, and associate with certain peptides and other relevant biomolecules.

Specifications

Sinónimos

AKOS024386551 | (4E)-1-ethyl-4-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline;iodide | (4Z)-1-ethyl-4-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline;iodide | 1-Ethyl-4-((1-ethyl-4(1H)-quinolylidene)methyl)quinolinium iodide | (E)-1-Ethyl-4-((1-eth

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488197792
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197792
• Sonrisas canónicas: CCN1C=CC(=CC2=CC=[N+](C3=CC=CC=C23)CC)C4=CC=CC=C41.[I-]
• IUPAC Name: (4E)-1-ethyl-4-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline;iodide
• InChIKey: BFVPXROCOCTNOP-UHFFFAOYSA-M
• INCHI: 1S/C23H23N2.HI/c1-3-24-15-13-18(20-9-5-7-11-22(20)24)17-19-14-16-25(4-2)23-12-8-6-10-21(19)23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1
• Isómeros SMILES: CCN1C=C/C(=C\C2=CC=[N+](C3=CC=CC=C23)CC)/C4=CC=CC=C41.[I-]
• PubChem CID: 11947729
• Número ONU: 2811
• Grupo de embalaje: II
• Peso molecular: 454.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Hydroquinolines Tertiary alkylarylamines Pyridinium derivatives Benzenoids Heteroaromatic compounds Enamines Azacyclic compounds Allylamines Organic iodide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Dihydroquinoline - Tertiary aliphatic/aromatic amine - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Tertiary amine - Azacycle - Allylamine - Enamine - Amine - Organic iodide salt - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic salt - Organic cation - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
• 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

• Sensibilidad: Light sensitive
• Punto de fusión (°C): 280° C (dec.)
• Peso molecular: 454.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 454.091 Da
• Monoisotopic Mass: 454.091 Da
• Topological Polar Surface Area: 7.100 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 464.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

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