N-(3-trimethylammoniumpropyl)-4-(6-(4-(diethylamino)phenyl)hexatrienyl)pyridinium dibromide , CAS No.872979-87-8

CAS: 872979-87-8 Cat. No.: T1373409 Peso molecular: 565.427 PubChem CID: 53426329

Synonyms

N-(3-trimethylammoniumpropyl)-4-(6-(4-(diethylamino)phenyl)hexatrienyl)pyridinium bromide | fm 5-95 | n-(3-trimethylammoniumpropyl)-4-(6-(4-(diethylamino)phenyl)hexatrienyl)pyridinium | CID 53426329 | DTXSID701007478 | 4-{6-[4-(Diethylamino)phenyl]hexa-1,

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

N-(3-trimethylammoniumpropyl)-4-(6-(4-(diethylamino)phenyl)hexatrienyl)pyridinium bromide | fm 5-95 | n-(3-trimethylammoniumpropyl)-4-(6-(4-(diethylamino)phenyl)hexatrienyl)pyridinium | CID 53426329 | DTXSID701007478 | 4-{6-[4-(Diethylamino)phenyl]hexa-1,

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Sonrisas canónicas: CCN(CC)C1=CC=C(C=C1)C=CC=CC=CC2=CC=[N+](C=C2)CCC[N+](C)(C)C.[Br-].[Br-]
• IUPAC Name: 3-[4-[6-[4-(diethylamino)phenyl]hexa-1,3,5-trienyl]pyridin-1-ium-1-yl]propyl-trimethylazanium;dibromide
• InChIKey: AZJASRWHFPDMHB-UHFFFAOYSA-L
• INCHI: 1S/C27H39N3.2BrH/c1-6-29(7-2)27-17-15-25(16-18-27)13-10-8-9-11-14-26-19-22-28(23-20-26)21-12-24-30(3,4)5;;/h8-11,13-20,22-23H,6-7,12,21,24H2,1-5H3;2*1H/q+2;;/p-2
• Isómeros SMILES: CCN(CC)C1=CC=C(C=C1)C=CC=CC=CC2=CC=[N+](C=C2)CCC[N+](C)(C)C.[Br-].[Br-]
• PubChem CID: 53426329
• Peso molecular: 565.427

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Styrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Pyridinium derivatives Tetraalkylammonium salts Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Styrene - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Pyridine - Pyridinium - Tetraalkylammonium salt - Quaternary ammonium salt - Heteroaromatic compound - Tertiary amine - Azacycle - Organoheterocyclic compound - Organic bromide salt - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organic salt - Organic cation - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
• 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