1-Ethylpyridinium chloride - ≥98% , CAS No.2294-38-4

CAS: 2294-38-4 Cat. No.: E102660 Molecular Weight: 143.61 Beilstein Registry Number: 20(5)5,226 EC Number: 680-003-7

GRADE & PURITY ≥98%

Synonyms

AKOS015833116 | D83482 | J-014910 | Pyridinium, 1-ethyl-, chloride | DTXSID30883823 | AMFMJCAPWCXUEI-UHFFFAOYSA-M | Q27256774 | pyridine ethochloride | MFCD03093293 | E0544 | SCHEMBL365128 | 38BQL5563G | n-ethylpyridinium chloride | 1-ethylpyridin-1-ium;c

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS015833116 | D83482 | J-014910 | Pyridinium, 1-ethyl-, chloride | DTXSID30883823 | AMFMJCAPWCXUEI-UHFFFAOYSA-M | Q27256774 | pyridine ethochloride | MFCD03093293 | E0544 | SCHEMBL365128 | 38BQL5563G | n-ethylpyridinium chloride | 1-ethylpyridin-1-ium;c

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504754930
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754930
• Canonical Smiles: CC[N+]1=CC=CC=C1.[Cl-]
• IUPAC Name: 1-ethylpyridin-1-ium;chloride
• InChIKey: AMFMJCAPWCXUEI-UHFFFAOYSA-M
• INCHI: 1S/C7H10N.ClH/c1-2-8-6-4-3-5-7-8;/h3-7H,2H2,1H3;1H/q+1;/p-1
• Isomeric SMILES: CC[N+]1=CC=CC=C1.[Cl-]
• Molecular Weight: 143.61
• Beilstein: 20(5)5,226
• Reaxy-Rn: 5421904
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5421904&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridinium derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridinium derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinium derivatives
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine.
• 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

Chemical and Physical Properties

• Solubility: Soluble in water
• Sensitivity: Hygroscopic
• Molecular Weight: 143.610 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 143.05 Da
• Monoisotopic Mass: 143.05 Da
• Topological Polar Surface Area: 3.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 55.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Hao Wang, Xintong Zhang, Zhencai Zhang, Yiwen Zhang, Zhao Yang, Wentao Zhang, Chunshan Li, Fei Xu.  (2025)  Quantum-Chemically Guided Insights on Ionic Liquid Catalysts for Biobased Polycarbonate Synthesis─Mechanistic Exploration and Cation-Functionalized Optimization.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.4c10922]