1-Methylpyridinium Chloride - ≥98% , CAS No.7680-73-1

CAS: 7680-73-1 Cat. No.: M102695 Molecular Weight: 129.59 Beilstein Registry Number: 20(3/4)2307 EC Number: 231-658-9

GRADE & PURITY ≥98%

Synonyms

LRK3W477YB | EC 231-658-9 | 1-methylpyridin-1-ium chloride | Methyl pyridinium chloride | DTXSID50932185 | SB52923 | MFCD00137532 | Z57947843 | Pyridinium, 1-methyl-, chloride | 1-methylpyridin-1-ium;chloride | Pyridine methochloride | UNII-LRK3W477YB | D

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

LRK3W477YB | EC 231-658-9 | 1-methylpyridin-1-ium chloride | Methyl pyridinium chloride | DTXSID50932185 | SB52923 | MFCD00137532 | Z57947843 | Pyridinium, 1-methyl-, chloride | 1-methylpyridin-1-ium;chloride | Pyridine methochloride | UNII-LRK3W477YB | D

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C[N+]1=CC=CC=C1.[Cl-]
• IUPAC Name: 1-methylpyridin-1-ium;chloride
• InChIKey: QAIGYXWRIHZZAA-UHFFFAOYSA-M
• INCHI: 1S/C6H8N.ClH/c1-7-5-3-2-4-6-7;/h2-6H,1H3;1H/q+1;/p-1
• Isomeric SMILES: C[N+]1=CC=CC=C1.[Cl-]
• RTECS: UU5950000
• UN Number: 2811
• Molecular Weight: 129.59
• Beilstein: 20(3/4)2307
• Reaxy-Rn: 4158975
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4158975&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-methylpyridinium compounds
• Alternative Parents: Pyridinium derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-methylpyridinium - 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 n-methylpyridinium compounds. These are methylpyridines that carry a methyl group at the 1-position.
• 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

• Sensitivity: Moisture sensitive.
• Melt Point(°C): 144°C
• Molecular Weight: 129.590 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 129.035 Da
• Monoisotopic Mass: 129.035 Da
• Topological Polar Surface Area: 3.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 46.100
• 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

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