2-Acetilpirazina - ≥99% , CAS No.22047-25-2

CAS: 22047-25-2 Cat. No.: A100996 Formula: C₆H₆N₂O Peso molecolare: 122.12 Beilstein Registry Number: 24(3/4)243 Numero EC: 244-753-5

GRADE & PURITY ≥99%

Synonyms

PS-5458 | Pyrazin-1-ylethan-1-one | FT-0610980 | 1-(2-Pyrazinyl)ethanone | 1-(2-pyrazinyl)-ethanone | AB00602 | Acetylpyrazine | Acetylpyrazine, 97% | SY004986 | AM20070441 | DTXCID3027085 | Z513735920 | Ethanone, 1-pyrazinyl- | Q15726062 | 2-Acetylpyrazi

Storage

Argon charged,Room temperature

Shipped In

Normale

Panoramica

la 2-acetilpirazina è stata identificata come uno dei costituenti volatili dell'aroma nei popcorn e nella crosta del pane di grano e segale.

Specifications

Sinonimi

PS-5458 | Pyrazin-1-ylethan-1-one | FT-0610980 | 1-(2-Pyrazinyl)ethanone | 1-(2-pyrazinyl)-ethanone | AB00602 | Acetylpyrazine | Acetylpyrazine, 97% | SY004986 | AM20070441 | DTXCID3027085 | Z513735920 | Ethanone, 1-pyrazinyl- | Q15726062 | 2-Acetylpyrazi

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normale

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

488183118

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183118

Sorrisi canonici

CC(=O)C1=NC=CN=C1

IUPAC Name

1-pyrazin-2-ylethanone

InChIKey

DBZAKQWXICEWNW-UHFFFAOYSA-N

INCHI

1S/C6H6N2O/c1-5(9)6-4-7-2-3-8-6/h2-4H,1H3

Isomeri SMILES

CC(=O)C1=NC=CN=C1

WGK Germania

2

Peso molecolare

122.12

Beilstein

24(3/4)243

Reaxy-Rn

109630

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109630&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Aryl alkyl ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones
• Direct Parent: Aryl alkyl ketones
• Alternative Parents: Pyrazines Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl alkyl ketone - Pyrazine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
• 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

Obiettivi associati (non umani)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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

Acinetobacter baumannii (41033 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: air sensitive
• Punto di ebollizione (°C): 78-79°/8mm
• Punto di fusione (°C): 75-78°C
• Peso molecolare: 122.120 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 122.048 Da
• Monoisotopic Mass: 122.048 Da
• Topological Polar Surface Area: 42.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 114.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 22047-25-2, the molecular formula is C6H6N2O, and the molecular weight is 122.12 g/mol. InChIKey DBZAKQWXICEWNW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.