1-Butyl-4-methylpyridinium iodide - ≥98% , CAS No.32353-64-3

CAS: 32353-64-3 Cat. No.: B343853 Molecular Weight: 277.15 EC Number: 624-670-4 PubChem CID: 11995188

GRADE & PURITY ≥98%

Synonyms

CAS-32353-64-3 | Tox21_202689 | NCGC00260237-01 | 1-BUTYL-4-METHYLPYRIDINIUM IODIDE | 1-butyl-4-methylpyridin-1-ium;iodide | 1-BUTYL-4-METHYLPYRIDIN-1-IUM IODIDE | Pyridinium, 1-butyl-4-methyl-, iodide (1:1) | DTXCID6029123 | 89A5KW6BF8 | 1-Butyl-4-methyl

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

CAS-32353-64-3 | Tox21_202689 | NCGC00260237-01 | 1-BUTYL-4-METHYLPYRIDINIUM IODIDE | 1-butyl-4-methylpyridin-1-ium;iodide | 1-BUTYL-4-METHYLPYRIDIN-1-IUM IODIDE | Pyridinium, 1-butyl-4-methyl-, iodide (1:1) | DTXCID6029123 | 89A5KW6BF8 | 1-Butyl-4-methyl

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766871
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766871
• Canonical Smiles: CCCC[N+]1=CC=C(C=C1)C.[I-]
• IUPAC Name: 1-butyl-4-methylpyridin-1-ium;iodide
• InChIKey: RSJCFBORABJFGA-UHFFFAOYSA-M
• INCHI: 1S/C10H16N.HI/c1-3-4-7-11-8-5-10(2)6-9-11;/h5-6,8-9H,3-4,7H2,1-2H3;1H/q+1;/p-1
• Isomeric SMILES: CCCC[N+]1=CC=C(C=C1)C.[I-]
• WGK Germany: 3
• PubChem CID: 11995188
• Molecular Weight: 277.15

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: Methylpyridines
• Alternative Parents: Pyridinium derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic iodide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - 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 methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive;light sensitive
• Molecular Weight: 277.140 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 277.033 Da
• Monoisotopic Mass: 277.033 Da
• Topological Polar Surface Area: 3.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 93.000
• 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

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