Pyrazine - ≥98% , CAS No.290-37-9

CAS: 290-37-9 Cat. No.: P109614 Formula: C₄H₄N₂ Molecular Weight: 80.09 Beilstein Registry Number: 103905 EC Number: 206-027-6

GRADE & PURITY ≥98%

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

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

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

504751810

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751810

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

• Solubility: Soluble in water; Soluble in Ether,Ethanol
• Sensitivity: Hygroscopic
• x_flash_point_drop_centigrade: 55℃
• x_boil_point_char: 115-116°C
• x_melt_point_char: 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