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

CAS: 4727-49-5 Cat. No.: D346785 Molecular Weight: 454.35 EC Number: 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

Overview

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

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

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488197792
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197792
• Canonical Smiles: 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
• Isomeric SMILES: CCN1C=C/C(=C\C2=CC=[N+](C3=CC=CC=C23)CC)/C4=CC=CC=C41.[I-]
• PubChem CID: 11947729
• UN Number: 2811
• Packing Group: II
• Molecular Weight: 454.35

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Melt Point(°C): 280° C (dec.)
• Molecular Weight: 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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