n-óxido de 2,4-dimetilpiridina - ≥98% , CAS No.1122-45-8

CAS: 1122-45-8 Cat. No.: D404346 Peso molecular: 123.16 Número EC: 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-Dimethyl-1-oxidopyridin-1-ium

Storage

Argon charged,Room temperature

Descripción general

Longitud de onda de absorción máxima:262(EtOH)nm

Specifications

Sinónimos

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-Dimethyl-1-oxidopyridin-1-ium

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488184581
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184581
• Sonrisas canónicas: 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
• Isómeros SMILES: CC1=CC(=[N+](C=C1)[O-])C
• Peso molecular: 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
    • Clase Pyridines and derivatives
      • Subclass Methylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture Sensitive
• Índice de refracción: 1.57
• Punto de inflamación (°C): 129 °C
• Punto de ebullición (°C): 91 °C/0.3 mmHg
• Peso molecular: 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