5-Ethyl-2,3-dimethylpyrazine - ≥98%(GC) , CAS No.15707-34-3

CAS: 15707-34-3 Cat. No.: E156377 Molecular Weight: 136.19 Beilstein Registry Number: 23(5)5,440 EC Number: 639-047-2

GRADE & PURITY ≥98%(GC)

Synonyms

MFCD04038059 | Q27263730 | 2,3-DIMETHYL-5-ETHYLPYRAZINE | Pyrazine, 6-ethyl-2,3-dimethyl | Q-100190 | 5-Ethyl-2,3-dimethylpyrazine, analytical standard | 5-Ethyl-2,3-dimethylpyrazine | 5-Ethyl-2,3-dimethyl-pyrazine | A809807 | UNII-6496XCH56Q | 5,6-Dimeth

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

MFCD04038059 | Q27263730 | 2, 3-DIMETHYL-5-ETHYLPYRAZINE | Pyrazine, 6-ethyl-2, 3-dimethyl | Q-100190 | 5-Ethyl-2, 3-dimethylpyrazine, analytical standard | 5-Ethyl-2, 3-dimethylpyrazine | 5-Ethyl-2, 3-dimethyl-pyrazine | A809807 | UNII-6496XCH56Q | 5, 6-Dimeth

Specifications & Purity

≥98%(GC)

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488183045
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183045
• Canonical Smiles: CCC1=CN=C(C(=N1)C)C
• IUPAC Name: 5-ethyl-2,3-dimethylpyrazine
• InChIKey: CIBKSMZEVHTQLG-UHFFFAOYSA-N
• INCHI: 1S/C8H12N2/c1-4-8-5-9-6(2)7(3)10-8/h5H,4H2,1-3H3
• Isomeric SMILES: CCC1=CN=C(C(=N1)C)C
• Molecular Weight: 136.19
• Beilstein: 23(5)5,440
• Reaxy-Rn: 956766
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=956766&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Refractive Index: 1.5
• Flash Point(°C): 71 °C
• Boil Point(°C): 76 °C/15 mmHg
• Molecular Weight: 136.190 g/mol
• XLogP3: 1.400
• 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

References

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