2-Ethylpyrazine - ≥99%(GC) , CAS No.13925-00-3

CAS: 13925-00-3 Cat. No.: E156371 Formule: C₆H₈N₂ Poids moléculaire: 108.14 Beilstein Registry Number: 108200 Numéro CE: 237-691-5

GRADE & PURITY ≥99%(GC)

Synonyms

Ethylpyrazine | ethyl-pyrazine | CCRIS 2931 | HY-W040948 | Q27140387 | FT-0612294 | PD158376 | E0334 | Ethylpyrazine, analytical standard | 2-ethyl pyrazine | 2-ETHYLPYRAZINE | 2-Ethyl-pyrazine | 2-Ethylpyrazine, >=98%, FG | CHEBI:73232 | Pyrazine, ethyl-

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Ethylpyrazine has been used in the synthesis of pyrazinoic acid.

Specifications

Synonymes

Ethylpyrazine | ethyl-pyrazine | CCRIS 2931 | HY-W040948 | Q27140387 | FT-0612294 | PD158376 | E0334 | Ethylpyrazine, analytical standard | 2-ethyl pyrazine | 2-ETHYLPYRAZINE | 2-Ethyl-pyrazine | 2-Ethylpyrazine, >=98%, FG | CHEBI:73232 | Pyrazine, ethyl-

Spécifications et pureté

≥99%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥99%(GC)

Noms et identifiants

• Pubchem Sid: 488183011
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183011
• Sourires canoniques: CCC1=NC=CN=C1
• IUPAC Name: 2-ethylpyrazine
• InChIKey: KVFIJIWMDBAGDP-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3
• Isomères SMILES: CCC1=NC=CN=C1
• WGK Allemagne: 3
• RTECS: UQ3330000
• Poids moléculaire: 108.14
• Beilstein: 108200
• Reaxy-Rn: 108200
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108200&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazines
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazines. These are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms.
• External Descriptors: pyrazines

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

Mécanismes d'action

Propriétés chimiques et physiques

• Indice de réfraction: 1.498(lit.)
• Point d'éclair (°F): 73.4 °F
• Point d'éclair (°C): 42°C(lit.)
• Point d'ébullition (°C): 152-153°C(lit.)
• Poids moléculaire: 108.140 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 108.069 Da
• Monoisotopic Mass: 108.069 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 63.500
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 13925-00-3, the molecular formula is C6H8N2, and the molecular weight is 108.14 g/mol. InChIKey KVFIJIWMDBAGDP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.