1-Methylpyridin-1-ium iodide - ≥95% , CAS No.930-73-4

CAS: 930-73-4 Cat. No.: M590752 Molecular Weight: 221.04 EC Number: 632-664-8 PubChem CID: 13596

GRADE & PURITY ≥95%

Synonyms

AKOS002346584 | NSC 97384 | N-Methylpyridinium iodide | AI3-15031 | MFCD00160400 | 1-methylpyridin-1-ium;iodide | SCHEMBL303013 | 1-methyl pyridinium iodide | 1-Methylpyridinium iodide | Pan-W-29 | 1-methylpyridin-1-iumiodide | HLNJFEXZDGURGZ-UHFFFAOYSA-M

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

AKOS002346584 | NSC 97384 | N-Methylpyridinium iodide | AI3-15031 | MFCD00160400 | 1-methylpyridin-1-ium;iodide | SCHEMBL303013 | 1-methyl pyridinium iodide | 1-Methylpyridinium iodide | Pan-W-29 | 1-methylpyridin-1-iumiodide | HLNJFEXZDGURGZ-UHFFFAOYSA-M

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C[N+]1=CC=CC=C1.[I-]
• IUPAC Name: 1-methylpyridin-1-ium;iodide
• InChIKey: HLNJFEXZDGURGZ-UHFFFAOYSA-M
• INCHI: 1S/C6H8N.HI/c1-7-5-3-2-4-6-7;/h2-6H,1H3;1H/q+1;/p-1
• Isomeric SMILES: C[N+]1=CC=CC=C1.[I-]
• PubChem CID: 13596
• NSC Number: NSC Number': ['97384
• Molecular Weight: 221.04

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 iodide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-methylpyridinium - Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic iodide 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 221.040 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 220.97 Da
• Monoisotopic Mass: 220.97 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

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