2,4-Dimethylpyridine N-Oxide - ≥98% , CAS No.1122-45-8

CAS: 1122-45-8 Cat. No.: D404346 Molecular Weight: 123.16 EC Number: 214-349-3

GRADE & PURITY ≥98%

Synonyms

Pyridine, 2,4-dimethyl-, 1-oxide | Pyridine,2,4-dimethyl-, 1-oxide | 978DN6CD4N | SCHEMBL501845 | AKOS006228652 | STL280363 | 2,4-Lutidine-1-oxide | E85589 | 2,4-Dimethyl-pyridine 1-oxide | 2,4-Dimethylpyridine 1-oxide | 2,4-dimethyl-1-oxidopyridin-1-ium

Storage

Argon charged,Room temperature

Overview

Maximum Absorption Wavelength:262(EtOH)nm

Specifications

Synonyms

Pyridine, 2, 4-dimethyl-, 1-oxide | Pyridine, 2, 4-dimethyl-, 1-oxide | 978DN6CD4N | SCHEMBL501845 | AKOS006228652 | STL280363 | 2, 4-Lutidine-1-oxide | E85589 | 2, 4-Dimethyl-pyridine 1-oxide | 2, 4-Dimethylpyridine 1-oxide | 2, 4-dimethyl-1-oxidopyridin-1-ium

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488184581
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184581
• Canonical Smiles: CC1=CC(=[N+](C=C1)[O-])C
• IUPAC Name: 2,4-dimethyl-1-oxidopyridin-1-ium
• InChIKey: KMQVCYOPBMKRKH-UHFFFAOYSA-N
• INCHI: 1S/C7H9NO/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3
• Isomeric SMILES: CC1=CC(=[N+](C=C1)[O-])C
• Molecular Weight: 123.16
• Reaxy-Rn: 111337
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111337&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: Methylpyridines
• Alternative Parents: Pyridinium derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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
• Refractive Index: 1.57
• Flash Point(°C): 129 °C
• Boil Point(°C): 91 °C/0.3 mmHg
• Molecular Weight: 123.150 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 123.068 Da
• Monoisotopic Mass: 123.068 Da
• Topological Polar Surface Area: 25.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.900
• 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: 1