2,6-Lutidine N-Oxide - ≥98% , CAS No.1073-23-0

CAS: 1073-23-0 Cat. No.: L123095 Peso molecular: 123.16 Beilstein Registry Number: 110551 Número EC: 214-025-1

GRADE & PURITY ≥98%

Synonyms

2,6-Dimethylpyridine oxide | SCHEMBL378551 | SY007709 | 2,6-Dimethylpyridine N-oxide | InChI=1/C7H9NO/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H | 2,6-Dimethylpyridine-1-oxide | L0069 | 2,6-dimethylpyridin-1-ium-1-olate | 2,6-Dimethylpyridinium N-oxide | LIDGFHXPUOJ

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

2, 6-Dimethylpyridine oxide | SCHEMBL378551 | SY007709 | 2, 6-Dimethylpyridine N-oxide | InChI=1/C7H9NO/c1-6-4-3-5-7(2)8(6)9/h3-5H, 1-2H | 2, 6-Dimethylpyridine-1-oxide | L0069 | 2, 6-dimethylpyridin-1-ium-1-olate | 2, 6-Dimethylpyridinium N-oxide | LIDGFHXPUOJ

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=[N+](C(=CC=C1)C)[O-]
• IUPAC Name: 2,6-dimethyl-1-oxidopyridin-1-ium
• InChIKey: LIDGFHXPUOJZMK-UHFFFAOYSA-N
• INCHI: 1S/C7H9NO/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3
• Isómeros SMILES: CC1=[N+](C(=CC=C1)C)[O-]
• Peso molecular: 123.16
• Beilstein: 110551
• Reaxy-Rn: 110551
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110551&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

• Solubilidad: Miscible with water.
• Sensibilidad: Hygroscopic
• Índice de refracción: 1.5685
• Punto de ebullición (°C): 145°C/25mmHg
• Peso molecular: 123.150 g/mol
• XLogP3: 0.700
• 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: 84.900
• 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

Referencias

1. Wei Zhang, Yibing Hao, Caitiao Fang, Xiaomin Dou, Jun Liu.  (2024)  Facilely tuning the triazine-heptazine ratios in crystalline g-C3N4 for efficient photo-degradation of tylosin.  Journal of Water Process Engineering,      [PMID:] [10.1016/j.jwpe.2024.106088]