2-Methylpyrazine - ≥98%(GC) , CAS No.109-08-0

CAS: 109-08-0 Cat. No.: M158369 Formula: C₅H₆N₂ Molecular Weight: 94.12 Beilstein Registry Number: 105778 EC Number: 203-645-8

GRADE & PURITY ≥98%(GC)

Synonyms

2-Methylpyrazine, >=99% | NSC49138 | NSC-49138 | 2-METHYLPYRAZINE [FHFI] | 5-methylpyrazine | RVC6500U9C | 2-Methylpyrazine, European Pharmacopoeia (EP) Reference Standard | 2-Methylpyrazine, Pharmaceutical Secondary Standard; Certified Reference Material

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Product Description：

2-Methylpyrazine is an alkyl-substituted pyrazine used as a key intermediate in the synthesis of pyrazineamide, an anti-tubercular drug.

Product Application：

2-Methylpyrazine can be used: As a ligand to prepare coordination polymer [Ag(CF3CO2)(2-Me-Pyz)], wherein 2-Me-Pyz is 2-methylpyrazine. To prepare 2-cyanopyrazine via ammoxidation reaction using MoVPO catalyst. As a ligand in the synthesis of fluorescent silver(I)-saccharinato complex, which exhibits blue luminescence at room temperature.

Specifications

Synonyms

2-Methylpyrazine, >=99% | NSC49138 | NSC-49138 | 2-METHYLPYRAZINE [FHFI] | 5-methylpyrazine | RVC6500U9C | 2-Methylpyrazine, European Pharmacopoeia (EP) Reference Standard | 2-Methylpyrazine, Pharmaceutical Secondary Standard; Certified Reference Material

Specifications & Purity

≥98%(GC)

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488180635
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180635
• Canonical Smiles: CC1=NC=CN=C1
• IUPAC Name: 2-methylpyrazine
• InChIKey: CAWHJQAVHZEVTJ-UHFFFAOYSA-N
• INCHI: 1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3
• Isomeric SMILES: CC1=NC=CN=C1
• WGK Germany: 3
• RTECS: UQ3675000
• Molecular Weight: 94.12
• Beilstein: 105778
• Reaxy-Rn: 105778
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105778&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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: 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

Associated Targets(Human)

HepG2 (196354 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Fully miscible in water.
• Sensitivity: Air sensitive
• Refractive Index: 1.50
• Flash Point(°F): 122 °F
• Flash Point(°C): 50°C
• Boil Point(°C): 135°C
• Melt Point(°C): -29°C(lit.)
• Molecular Weight: 94.110 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 94.0531 Da
• Monoisotopic Mass: 94.0531 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 54.000
• 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