1-Ethyl-4-(methoxycarbonyl)pyridinium Iodide - ≥97%(T) , CAS No.1199-65-1

CAS: 1199-65-1 Cat. No.: E156132 Peso molecular: 293.1 Número EC: 624-777-6 PubChem CID: 70984

GRADE & PURITY ≥97%(T)

Synonyms

1-ethyl-4-(methoxycarbonyl)pyridin-1-iumiodide | 4-Carbomethoxy-1-ethylpyridinium Iodide | AKOS015833266 | 1-Ethyl-4-(methoxycarbonyl)pyridinium iodide, 97% | FT-0607759 | 1-ETHYL-4-METHOXYCARBONYLPYRIDINIUM IODIDE | Pyridinium, 1-ethyl-4-(methoxycarbonyl

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Ion association/dissociation behavior of 1-ethyl-4-(methoxycarbonyl)pyridinium iodide in a number of ionic and molecular liquids by mathematical and computational modelling was reporte

Specifications

Sinónimos

1-ethyl-4-(methoxycarbonyl)pyridin-1-iumiodide | 4-Carbomethoxy-1-ethylpyridinium Iodide | AKOS015833266 | 1-Ethyl-4-(methoxycarbonyl)pyridinium iodide, 97% | FT-0607759 | 1-ETHYL-4-METHOXYCARBONYLPYRIDINIUM IODIDE | Pyridinium, 1-ethyl-4-(methoxycarbonyl

Especificaciones y pureza

≥97%(T)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%(T)

Nombres e identificadores

• Pubchem Sid: 488184626
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184626
• Sonrisas canónicas: CC[N+]1=CC=C(C=C1)C(=O)OC.[I-]
• IUPAC Name: methyl 1-ethylpyridin-1-ium-4-carboxylate;iodide
• InChIKey: NGEAJXXGUZQCPN-UHFFFAOYSA-M
• INCHI: 1S/C9H12NO2.HI/c1-3-10-6-4-8(5-7-10)9(11)12-2;/h4-7H,3H2,1-2H3;1H/q+1;/p-1
• Isómeros SMILES: CC[N+]1=CC=C(C=C1)C(=O)OC.[I-]
• WGK Alemania: 3
• PubChem CID: 70984
• Peso molecular: 293.1
• Reaxy-Rn: 3747379

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Pyridinium derivatives Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Organic iodide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Pyridinium - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organic salt - Organic iodide salt - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
• 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 109-113°C
• Peso molecular: 293.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 292.991 Da
• Monoisotopic Mass: 292.991 Da
• Topological Polar Surface Area: 30.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 151.000
• 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