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

CAS: 605-91-4 Cat. No.: P160432 Summenformel: C₂₅H₂₅IN₂ Molekulargewicht: 480.39 EG-Nummer: 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

Lagerung bei 2-8°C, vor Licht geschützt

Shipped In

Nasses Eis

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥90%

Storage

Lagerung bei 2-8°C, vor Licht geschützt

Verschickt in

Nasses Eis

Reinheit

≥90%

Namen und Kennungen

• Pubchem Sid: 508815541
• Kanonisches Lächeln: 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
• Isomere SMILES: CCN1/C(=C/C=C/C2=[N+](C3=CC=CC=C3C=C2)CC)/C=CC4=CC=CC=C41.[I-]
• RTECS: VC3676870
• PubChem CID: 5463350
• Molekulargewicht: 480.39
• Reaxy-Rn: 5232486

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive
• Molekulargewicht: 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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