Methyl 2-Pyrazinecarboxylate - ≥97%(GC) , CAS No.6164-79-0

CAS: 6164-79-0 Cat. No.: M158371 Peso molecular: 138.13 Beilstein Registry Number: 25(5)4,177 Número EC: 228-198-6

GRADE & PURITY ≥97%(GC)

Synonyms

3-methylpyrazine-2-carboxylate;Methyl 2-pyrazinecarboxylate | OSM-S-147 | 2-Pyrazinecarboxylic Acid Methyl Ester | CCG-321173 | 2-Pyrazinecarboxylic acid, methyl ester | Q63399729 | TS-03568 | AN-652/40184635 | Copper(II)acetate | methyl 2-pyrazine carbox

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

3-methylpyrazine-2-carboxylate;Methyl 2-pyrazinecarboxylate | OSM-S-147 | 2-Pyrazinecarboxylic Acid Methyl Ester | CCG-321173 | 2-Pyrazinecarboxylic acid, methyl ester | Q63399729 | TS-03568 | AN-652/40184635 | Copper(II)acetate | methyl 2-pyrazine carbox

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 488184700
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184700
• Sonrisas canónicas: COC(=O)C1=NC=CN=C1
• IUPAC Name: methyl pyrazine-2-carboxylate
• InChIKey: TWIIRMSFZNYMQE-UHFFFAOYSA-N
• INCHI: 1S/C6H6N2O2/c1-10-6(9)5-4-7-2-3-8-5/h2-4H,1H3
• Isómeros SMILES: COC(=O)C1=NC=CN=C1
• WGK Alemania: 3
• Peso molecular: 138.13
• Beilstein: 25(5)4,177
• Reaxy-Rn: 118345
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118345&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Pyrazine carboxylic acids and derivatives
• Direct Parent: Pyrazine carboxylic acids
• Alternative Parents: Methyl esters Heteroaromatic compounds 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 - Methyl ester - 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
• Descripción: 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

Objetivos asociados (no humanos)

Mycobacterium avium (4587 Activities)

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Mycobacterium kansasii (6484 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de ebullición (°C): 104°C/7mmHg
• Punto de fusión (°C): 57-61°C
• Peso molecular: 138.120 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 138.043 Da
• Monoisotopic Mass: 138.043 Da
• Topological Polar Surface Area: 52.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 127.000
• 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

Referencias

1. Jiawei Du, Yang Zhang, Zhenzhen Ning, Sha Jiang, Jiahuan Liu, Xingting Ni, Qiang Li, Qiang Yang.  (2025)  Comparative Analysis of Pyrazine Compounds in Soy Sauce Aroma Baijiu from Different Regions and Their Impact on Flavor Profiles.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2025.108447]