Pinacyanol Chloride , CAS No.2768-90-3

CAS: 2768-90-3 Cat. No.: P160431 Peso molecular: 388.94 Número EC: 220-457-1 PubChem CID: 6364575

Synonyms

Dehyquart CBB | Vernitest reagent | QUINALDINE BLUE [USAN] | Quinolinium, 1-ethyl-2-(3-(1-ethyl-2(1H)-quinolylidene)propenyl)-, chloride | Carbamic acid, dimethyl-, 5,5-dimethyl-3-oxo-1-cyclohexen-1-yl ester | Benzenemethanaminium, N,N-dimethyl-N-octadecy

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Dehyquart CBB | Vernitest reagent | QUINALDINE BLUE [USAN] | Quinolinium, 1-ethyl-2-(3-(1-ethyl-2(1H)-quinolylidene)propenyl)-, chloride | Carbamic acid, dimethyl-, 5, 5-dimethyl-3-oxo-1-cyclohexen-1-yl ester | Benzenemethanaminium, N, N-dimethyl-N-octadecy

Mecanismos bioquímicos y fisiológicos

Pinacyanol chloride (1, 1-diethyl-2, 2-carbocyanine chloride), also known as quinaldine blue or PIN, belongs to the class of symmetric trimethinecyanine dyes. It is widely used as a histological stain. Pinacyanol chloride is used in the study of bacterial

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Nombres e identificadores

• Pubchem Sid: 488195722
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195722
• Sonrisas canónicas: CCN1C(=CC=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41.[Cl-]
• IUPAC Name: (2E)-1-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline;chloride
• InChIKey: FVMNARAKYNRZID-UHFFFAOYSA-M
• INCHI: 1S/C25H25N2.ClH/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
• Isómeros SMILES: CCN1/C(=C/C=C/C2=[N+](C3=CC=CC=C3C=C2)CC)/C=CC4=CC=CC=C41.[Cl-]
• PubChem CID: 6364575
• Peso molecular: 388.94

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Hydroquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolines
• Alternative Parents: Pyridinium derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinoline - Benzenoid - Pyridinium - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms.
• 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

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Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive.
• Punto de fusión (°C): 270 °C(dec.)
• Peso molecular: 388.900 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 388.171 Da
• Monoisotopic Mass: 388.171 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

Referencias

1. Liu Mingyang, Du Xuejun, Xu Ke, Yan Binwei, Fan Zaibi, Gao Zideng, Ren Xueqin.  (2021)  A cationic quantum dot-based ratiometric fluorescent probe to visually detect berberine hydrochloride in human blood serums.  Journal of Analytical Science and Technology,  12  (1): (1-9).  [PMID:] [10.1186/s40543-021-00261-x]