4-(4-dimethylaminostyryl)-1-methylpyridinium - ≥95% , CAS No.48174-78-3

CAS: 48174-78-3 Cat. No.: D303795 Molecular Weight: 366.2399

GRADE & PURITY ≥95%

Synonyms

N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline|YSZC308|4-[4-(Dimethylamino)-cis-styryl]-1-methylpyridinium|DTXSID901044505|4-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-methylpyridinium

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

N, N-dimethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline | YSZC308 | 4-[4-(Dimethylamino)-cis-styryl]-1-methylpyridinium | DTXSID901044505 | 4-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-methylpyridinium

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504758641
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758641
• Canonical Smiles: C[N+]1=CC=C(C=C1)C=CC2=CC=C(C=C2)N(C)C
• IUPAC Name: N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline
• InChIKey: WVKVDDALQQZUGC-UHFFFAOYSA-N
• INCHI: 1S/C16H19N2/c1-17(2)16-8-6-14(7-9-16)4-5-15-10-12-18(3)13-11-15/h4-13H,1-3H3/q+1
• Isomeric SMILES: C[N+]1=CC=C(C=C1)C=CC2=CC=C(C=C2)N(C)C
• Molecular Weight: 366.2399
• Reaxy-Rn: 3959319
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3959319&ln=

Taxonomic Classification

Taxonomy Tree

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

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

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

• Molecular Weight: 239.330 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 239.155 Da
• Monoisotopic Mass: 239.155 Da
• Topological Polar Surface Area: 7.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 1
• Complexity: 256.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1