Pyrazine N-oxide - ≥97% , CAS No.2423-65-6

CAS: 2423-65-6 Cat. No.: P168941 Molecular Weight: 96.09 EC Number: 625-801-8 PubChem CID: 137595

GRADE & PURITY ≥97%

Synonyms

Pyrazine,1-oxide | Pyrazine N-oxide | MFCD00190582 | 1-oxidopyrazin-1-ium | AMY20726 | Pyrazine 1-oxide | pyrazin-1-ium-1-olate | Pyrazine-1-oxide | Pyrazine1-oxide | Pyrazine N-oxide, 97% | NSC341054 | NSC-341054 | FT-0689917 | DTXSID90178924 | AKOS01590

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Pyrazine, 1-oxide | Pyrazine N-oxide | MFCD00190582 | 1-oxidopyrazin-1-ium | AMY20726 | Pyrazine 1-oxide | pyrazin-1-ium-1-olate | Pyrazine-1-oxide | Pyrazine1-oxide | Pyrazine N-oxide, 97% | NSC341054 | NSC-341054 | FT-0689917 | DTXSID90178924 | AKOS01590

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=C[N+](=CC=N1)[O-]
• IUPAC Name: 1-oxidopyrazin-1-ium
• InChIKey: RUIZBQQGWNBRFH-UHFFFAOYSA-N
• INCHI: 1S/C4H4N2O/c7-6-3-1-5-2-4-6/h1-4H
• Isomeric SMILES: C1=C[N+](=CC=N1)[O-]
• WGK Germany: 3
• PubChem CID: 137595
• Molecular Weight: 96.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrazinium compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrazinium compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazinium compounds
• Alternative Parents: Pyrazines Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazinium - Pyrazine - 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 pyrazinium compounds. These are organic aromatic compounds containing a pyriazinium ring.
• 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.
• Melt Point(°C): 112-116°C
• Molecular Weight: 96.090 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 96.0324 Da
• Monoisotopic Mass: 96.0324 Da
• Topological Polar Surface Area: 38.400 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 51.700
• 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