Aminopyrazine - ≥99% , CAS No.5049-61-6

CAS: 5049-61-6 Cat. No.: A111242 分子式: C₄H₅N₃ 分子量: 95.1 Beilstein Registry Number: 107025 EC番号: 225-748-7

グレード＆純度 ≥99%

Synonyms

Pyrazine, 2-amino-|pyrazineamine|2-(1,3-dioxoisoindolin-2-yl)ethyl acetate|Aminopyrazine|amino-pyrazine|AMINO PYRAZINE|1,2-Dihydro-2-iminopyrazine|3-AMINOPYRAZINE|iminopyrazine|Octanoic acid, 2-methylpropyl ester|2-Aminopyrazine|PYRIDINE,2-CHLORO-3-NITRO-|2-Pyrazinamine|pyrazin-2-ylamine|Pyrazin-2-yl-amine|Pyrazine,2-dihydro-2-imino-|1-(p-Chlorophenyl)-2-methyl-2-propanol|1-[4-(pentyloxy)phenyl]ethan-1-one|Pyrazinamine|Pyrazinamine-|Pyrazine, amino-|2-Pyrazinamine #|4-(Trifluoromethoxy)phenoxyaceticacidhydrazide|Pyrazine, 1,2-dihydro-2-imino-|2-aminopyrazin|pyrazin-2-amine|2 -aminopyrazine|4-Cyano-4-(3-methoxyphenyl)-1-methylpiperidine|(p-Cyanophenyl)acetic acid|Pyrazine amine|pyrazine-2-amine

Storage

Room temperature

Shipped In

Normal

概要

Aminopyrazine is a synthetic intermediate.
A synthetic intermediate

仕様

同義語

Pyrazine, 2-amino- | pyrazineamine | 2-(1,3-dioxoisoindolin-2-yl)ethyl acetate | Aminopyrazine | amino-pyrazine | AMINO PYRAZINE | 1,2-Dihydro-2-iminopyrazine | 3-AMINOPYRAZINE | iminopyrazine | Octanoic acid, 2-methylpropyl ester | 2-Aminopyrazine | PYRIDINE,2-CHLORO-3-NITRO- | 2-Pyrazinamine | pyrazin-2-ylamine | Pyrazin-2-yl-amine | Py もっと見る

仕様と純度

≥99%

保管条件

Room temperature

入荷

Normal

純度

≥99%

名前と識別子

パブケム・シド

488185616

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488185616

カノニカル・スマイル

C1=CN=C(C=N1)N

IUPAC Name

pyrazin-2-amine

InChIKey

XFTQRUTUGRCSGO-UHFFFAOYSA-N

INCHI

1S/C4H5N3/c5-4-3-6-1-2-7-4/h1-3H,(H2,5,7)

異性体SMILES

C1=CN=C(C=N1)N

WGKドイツ

3

分子量

95.1

Beilstein

107025

Reaxy-Rn

107025

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107025&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: Aminopyrazines
• Alternative Parents: Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrazine - Imidolactam - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as aminopyrazines. These are organic compounds containing an amino group attached to a pyrazine ring.
• 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

関連ターゲット（人間）

HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)

Discover Target: HSP90AA1

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

POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

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.
• 融点（°C）: 117-120°C
• 分子量: 95.100 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 95.0483 Da
• Monoisotopic Mass: 95.0483 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 54.900
• 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