Ethyl pyrazine-2-carboxylate - ≥98% , CAS No.6924-68-1

CAS: 6924-68-1 Cat. No.: E186059 Formula: C₇H₈N₂O₂ Molecular Weight: 152.15 EC Number: 230-045-3

GRADE & PURITY ≥98%

Synonyms

AKOS002659296 | ethylpyrazine-2-carboxylate | Pyrazinoic Acid Ethyl Ester | FT-0657154 | EINECS 230-045-3 | Q7Y9QBJ83Z | STK502763 | SZYQPTAROQANMV-UHFFFAOYSA-N | ethyl pyrazine-2-carboxylate | spiclomazine HCl | 2-Aminoindane HCL | Pyrazinecarboxylic aci

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS002659296 | ethylpyrazine-2-carboxylate | Pyrazinoic Acid Ethyl Ester | FT-0657154 | EINECS 230-045-3 | Q7Y9QBJ83Z | STK502763 | SZYQPTAROQANMV-UHFFFAOYSA-N | ethyl pyrazine-2-carboxylate | spiclomazine HCl | 2-Aminoindane HCL | Pyrazinecarboxylic aci

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Canonical Smiles

CCOC(=O)C1=NC=CN=C1

IUPAC Name

ethyl pyrazine-2-carboxylate

InChIKey

SZYQPTAROQANMV-UHFFFAOYSA-N

INCHI

1S/C7H8N2O2/c1-2-11-7(10)6-5-8-3-4-9-6/h3-5H,2H2,1H3

Isomeric SMILES

CCOC(=O)C1=NC=CN=C1

Molecular Weight

152.15

Reaxy-Rn

608320

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=608320&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrazines
        • Level5 Pyrazine carboxylic acids and derivatives
          • Level6 Pyrazine carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Pyrazine carboxylic acids and derivatives
• Direct Parent: Pyrazine carboxylic acids
• Alternative Parents: Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazine carboxylic acid - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazine carboxylic acids. These are heterocyclic compounds containing a pyrazine ring substituted by one or more carboxylic acid groups.
• 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

• Melt Point(°C): 49 °C
• Molecular Weight: 152.150 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 152.059 Da
• Monoisotopic Mass: 152.059 Da
• Topological Polar Surface Area: 52.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). 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 6924-68-1, the molecular formula is C7H8N2O2, and the molecular weight is 152.15 g/mol. InChIKey SZYQPTAROQANMV-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.