Pyrazine - ≥99% , CAS No.290-37-9

CAS: 290-37-9 Cat. No.: P109613 Molecular Weight: 80.09 Beilstein Registry Number: 103905 EC Number: 206-027-6

GRADE & PURITY ≥99%

Synonyms

NSC 400221 | PYRAZINE [MI] | BP-10420 | InChI=1/C4H4N2/c1-2-6-4-3-5-1/h1-4 | p-Diazine | 1,4-Diazin | Paradiazine | Pyrazine, >=99% | 1, 4-Diazabenzene | Pyrazines | STL373491 | 1,4-Diazabenzene | Pyrazine, >=99%, FG | Q424284 | Q-100368 | CHEBI:30953 | 2

Storage

Room temperature,Argon charged,Cool

Shipped In

Normal

Specifications

Synonyms

NSC 400221 | PYRAZINE [MI] | BP-10420 | InChI=1/C4H4N2/c1-2-6-4-3-5-1/h1-4 | p-Diazine | 1, 4-Diazin | Paradiazine | Pyrazine, >=99% | 1, 4-Diazabenzene | Pyrazines | STL373491 | 1, 4-Diazabenzene | Pyrazine, >=99%, FG | Q424284 | Q-100368 | CHEBI:30953 | 2

Specifications & Purity

≥99%

Storage

Room temperature, Argon charged, Cool

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1=CN=CC=N1
• IUPAC Name: pyrazine
• InChIKey: KYQCOXFCLRTKLS-UHFFFAOYSA-N
• INCHI: 1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H
• Isomeric SMILES: C1=CN=CC=N1
• WGK Germany: 3
• RTECS: UQ2015000
• UN Number: 1325
• Molecular Weight: 80.09
• Beilstein: 103905
• Reaxy-Rn: 103905
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103905&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: pyrazines - diazine

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)

TBXAS1 Tchem Thromboxane-A synthase (3355 Activities)

Discover Target: TBXAS1

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Hygroscopic
• Flash Point(°C): 55℃
• Boil Point(°C): 115-116°C
• Melt Point(°C): 52-56°C
• Molecular Weight: 80.090 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 80.0374 Da
• Monoisotopic Mass: 80.0374 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 26.500
• 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

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