Pinacyanol Iodide - ≥90% , CAS No.605-91-4

CAS: 605-91-4 Cat. No.: P160432 Fórmula: C₂₅H₂₅IN₂ Peso molecular: 480.39 Número CE: 210-099-4 PubChem CID: 5463350

GRADE & PURITY ≥90%

Synonyms

T72688 | 1,1'-Diethyl-2,2'-carbocyanine iodide | 1,1-DIETHYL-2,2-CARBOCYANINE IODIDE | 1-ethyl-2-[(1E)-3-[(2E)-1-ethyl-1,2-dihydroquinolin-2-ylidene]prop-1-en-1-yl]quinolin-1-ium iodide | QUINALDINE BLUE | Quinolinium, 1-ethyl-2-[3-(1-ethyl-2(1H)-quinolin

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

T72688 | 1,1'-Diethyl-2,2'-carbocyanine iodide | 1,1-DIETHYL-2,2-CARBOCYANINE IODIDE | 1-ethyl-2-[(1E)-3-[(2E)-1-ethyl-1,2-dihydroquinolin-2-ylidene]prop-1-en-1-yl]quinolin-1-ium iodide | QUINALDINE BLUE | Quinolinium, 1-ethyl-2-[3-(1-ethyl-2(1H)-quinolin

Especificações e pureza

≥90%

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥90%

Nomes e identificadores

• Pubchem Sid: 508815541
• Sorrisos canónicos: CCN1C(=CC=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41.[I-]
• IUPAC Name: (2E)-1-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline;iodide
• InChIKey: QWYZFXLSWMXLDM-UHFFFAOYSA-M
• INCHI: 1S/C25H25N2.HI/c1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1
• SMILES isoméricas: CCN1/C(=C/C=C/C2=[N+](C3=CC=CC=C3C=C2)CC)/C=CC4=CC=CC=C41.[I-]
• RTECS: VC3676870
• PubChem CID: 5463350
• Peso molecular: 480.39
• Reaxy-Rn: 5232486

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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 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 - Enamine - Amine - Organic iodide salt - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic salt - Aromatic heteropolycyclic compound
• Descrição: 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: cyanine dye - organic iodide salt

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

Propriedades químicas e físicas

• Sensibilidade: light sensitive
• Peso molecular: 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

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