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 EC: 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-

Especificaciones y pureza

analytical standard, mixture of isomers

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Grado

Patrón analítico

Nombres e identificadores

Pubchem Sid

528756239

Sonrisas canónicas

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

Isómeros SMILES

CCC1=NC=C(N=C1C)C

WGK Alemania

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
    • Clase Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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 acción

Propiedades químicas y físicas

• Índice de refracción: 1.5015
• Punto de inflamación (°F): 156.2 °F
• Punto de inflamación (°C): 69 °C
• Punto de ebullición (°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