2-Ethyl-3,5(6)-dimethylpyrazine - analytical standard, mixture of isomers , CAS No.27043-05-6

CAS: 27043-05-6 Cat. No.: E133774 Fórmula: C₈H₁₂N₂ Peso molecular: 136.19 Número CE: 248-182-2

GRADE & PURITY Analytical standard, mixture of isomers

Synonyms

2-ETHYL-3,5-DIMETHYLPYRAZINE|13925-07-0|3,5-Dimethyl-2-ethylpyrazine|Pyrazine, 2-ethyl-3,5-dimethyl-|27043-05-6|3-Ethyl-2,6-dimethylpyrazine|2,6-Dimethyl-3-ethylpyrazine|55031-15-7|FEMA 3150|2-Ethyl-3,5-dimethyl pyrazine|Pyrazine, 2,6-dimethyl-3-ethyl-|2-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

2-ETHYL-3,5-DIMETHYLPYRAZINE | 13925-07-0 | 3,5-Dimethyl-2-ethylpyrazine | Pyrazine, 2-ethyl-3,5-dimethyl- | 27043-05-6 | 3-Ethyl-2,6-dimethylpyrazine | 2,6-Dimethyl-3-ethylpyrazine | 55031-15-7 | FEMA 3150 | 2-Ethyl-3,5-dimethyl pyrazine | Pyrazine, 2,6-dimethyl-3-ethyl- | 2-

Especificações e pureza

analytical standard, mixture of isomers

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Analytical standard

Nomes e identificadores

Pubchem Sid

528756239

Sorrisos canónicos

CCC1=NC=C(N=C1C)C

IUPAC Name

2-ethyl-3,5-dimethylpyrazine

InChIKey

JZBCTZLGKSYRSF-UHFFFAOYSA-N

INCHI

1S/C8H12N2/c1-4-8-7(3)10-6(2)5-9-8/h5H,4H2,1-3H3

SMILES isoméricas

CCC1=NC=C(N=C1C)C

WGK Alemanha

3

Peso molecular

136.19

Reaxy-Rn

636984

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636984&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: 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
• Descrição: 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: 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: 1.5015
• Ponto de inflamação (°F): 156.2 °F
• Ponto de inflamação (°C): 69 °C
• Ponto de ebulição (°C): 180-181 °C
• Peso molecular: 136.190 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.1 Da
• Monoisotopic Mass: 136.1 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 103.000
• 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