2-methoxypyrazine - ≥98% , CAS No.3149-28-8

CAS: 3149-28-8 Cat. No.: M136222 Fórmula: C₅H₆N₂O Peso molecular: 110.12 Número CE: 221-579-8

GRAU & PUREZA ≥98%

Synonyms

2-Methoxy pyrazine | AKOS006222496 | PD158856 | A820876 | O10825 | Pyrazine, methoxy- | InChI=1/C5H6N2O/c1-8-5-4-6-2-3-7-5/h2-4H,1H | METHOXYPYRAZINE | Methoxy-Pyrazine | AC-16647 | HY-W010562 | 2-METHOXYPYRAZINE [FCC] | EINECS 221-579-8 | 2-Methoxypyrazi

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

2-Methoxy pyrazine | AKOS006222496 | PD158856 | A820876 | O10825 | Pyrazine, methoxy- | InChI=1/C5H6N2O/c1-8-5-4-6-2-3-7-5/h2-4H,1H | METHOXYPYRAZINE | Methoxy-Pyrazine | AC-16647 | HY-W010562 | 2-METHOXYPYRAZINE [FCC] | EINECS 221-579-8 | 2-Methoxypyrazi

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488182476

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182476

Sorrisos canónicos

COC1=NC=CN=C1

IUPAC Name

2-methoxypyrazine

InChIKey

WKSXRWSOSLGSTN-UHFFFAOYSA-N

INCHI

1S/C5H6N2O/c1-8-5-4-6-2-3-7-5/h2-4H,1H3

SMILES isoméricas

COC1=NC=CN=C1

WGK Alemanha

3

Número UN

1993

Grupo de embalagem

III

Peso molecular

110.12

Reaxy-Rn

2241

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2241&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxypyrazines
• Alternative Parents: Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methoxypyrazine - Alkyl aryl ether - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as methoxypyrazines. These are pyrazines containing a methoxyl group attached to the 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

Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: 1.509
• Ponto de inflamação (°F): 114.8 °F
• Ponto de inflamação (°C): 50°C(lit.)
• Ponto de ebulição (°C): 68°C
• Peso molecular: 110.110 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 110.048 Da
• Monoisotopic Mass: 110.048 Da
• Topological Polar Surface Area: 35.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 67.400
• 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