2,6-Dimethylpyrazine - ≥98%(GC) , CAS No.108-50-9

CAS: 108-50-9 Cat. No.: D154789 Formula: C₆H₈N₂ Molecular Weight: 108.14 Beilstein Registry Number: 23,97 EC Number: 203-589-4

GRADE & PURITY ≥98%(GC)

Synonyms

2,6-Dimethyl-1,4-diazine | N77Q72C9I3 | EINECS 203-589-4 | InChI=1/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H | AMY23200 | SCHEMBL7120213 | 2,6-Dimethylpyrazine, natural (US), >=90% | 2,6DMP | CCRIS 2930 | Q27161978 | AKOS006220715 | 2,6 dimethylpyrazine | 2,6-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

2,6-Dimethyl-1,4-diazine | N77Q72C9I3 | EINECS 203-589-4 | InChI=1/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H | AMY23200 | SCHEMBL7120213 | 2,6-Dimethylpyrazine, natural (US), >=90% | 2,6DMP | CCRIS 2930 | Q27161978 | AKOS006220715 | 2,6 dimethylpyrazine | 2,6-

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

508807814

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508807814

Canonical Smiles

CC1=CN=CC(=N1)C

IUPAC Name

2,6-dimethylpyrazine

InChIKey

HJFZAYHYIWGLNL-UHFFFAOYSA-N

INCHI

1S/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H3

Isomeric SMILES

CC1=CN=CC(=N1)C

WGK Germany

3

RTECS

UQ2975000

UN Number

1325

Packing Group

II

Molecular Weight

108.14

Beilstein

23,97

Reaxy-Rn

1726

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1726&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

Chemical and Physical Properties

• Solubility: Chloroform, Methanol (Slightly), Soluble in water
• Sensitivity: air sensitive
• Flash Point(°F): 127.4 °F
• Flash Point(°C): 53 °C
• Boil Point(°C): 155 °C
• Melt Point(°C): 37 °C
• Molecular Weight: 108.140 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 108.069 Da
• Monoisotopic Mass: 108.069 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 64.900
• 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