Pyrazine - ≥98% , CAS No.290-37-9

CAS: 290-37-9 Cat. No.: P109614 分子式: C₄H₄N₂ 分子量: 80.09 Beilstein Registry Number: 103905 EC番号: 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

同義語

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

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

504751810

パブケム・シド・ウル

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

カノニカル・スマイル

C1=CN=CC=N1

IUPAC Name

pyrazine

InChIKey

KYQCOXFCLRTKLS-UHFFFAOYSA-N

INCHI

1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H

異性体SMILES

C1=CN=CC=N1

WGKドイツ

3

RTECS

UQ2015000

UN番号

1325

分子量

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
    • 分類 Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water; Soluble in Ether,Ethanol
• 感度: Hygroscopic
• 引火点（°C）: 55℃
• 沸点（°C）: 115-116°C
• 融点（°C）: 52-56°C
• 分子量: 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