Cryptocyanine - ≥98%(HPLC) , CAS No.4727-50-8

CAS: 4727-50-8 Cat. No.: C153787 Formula: C₂₅H₂₅IN₂ Molecular Weight: 480.39 EC Number: 225-224-8 PubChem CID: 5351156

GRADE & PURITY ≥98%(HPLC)

Synonyms

(4E)-1-ethyl-4-[(Z)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline;iodide | CHEBI:51502 | PD011567 | 1,1'-Diethyl-4,4'-quinocarbocyanine iodide | A828423 | MFCD00011970 | Q27122634 | (4E)-1-ethyl-4-[(E)-3-(1-ethyl-4-quinolin-1-iumyl)prop-2-enyli

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

(4E)-1-ethyl-4-[(Z)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline;iodide | CHEBI:51502 | PD011567 | 1,1'-Diethyl-4,4'-quinocarbocyanine iodide | A828423 | MFCD00011970 | Q27122634 | (4E)-1-ethyl-4-[(E)-3-(1-ethyl-4-quinolin-1-iumyl)prop-2-enyli

Specifications & Purity

≥98%(HPLC)

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504763646
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763646
• Canonical Smiles: CCN1C=CC(=CC=CC2=CC=[N+](C3=CC=CC=C23)CC)C4=CC=CC=C41.[I-]
• IUPAC Name: (4E)-1-ethyl-4-[(E)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline;iodide
• InChIKey: CEJANLKHJMMNQB-UHFFFAOYSA-M
• INCHI: 1S/C25H25N2.HI/c1-3-26-18-16-20(22-12-5-7-14-24(22)26)10-9-11-21-17-19-27(4-2)25-15-8-6-13-23(21)25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1
• Isomeric SMILES: CCN1C=C/C(=C\C=C\C2=CC=[N+](C3=CC=CC=C23)CC)/C4=CC=CC=C41.[I-]
• RTECS: VC3676880
• PubChem CID: 5351156
• Molecular Weight: 480.39
• Reaxy-Rn: 5208511

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 Organopnictogen compounds Organic iodide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Dihydroquinoline - Tertiary aliphatic/aromatic amine - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Tertiary amine - Azacycle - Allylamine - Enamine - Organic iodide salt - Amine - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic salt - 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: organic iodide salt - quinolines

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

• Solubility: Soluble in Ethanol
• Sensitivity: Light Sensitive
• Molecular Weight: 480.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 480.106 Da
• Monoisotopic Mass: 480.106 Da
• Topological Polar Surface Area: 7.100 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 527.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 2

XLogP3

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4727-50-8, the molecular formula is C25H25IN2, and the molecular weight is 480.39 g/mol. InChIKey CEJANLKHJMMNQB-UHFFFAOYSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.