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Record Information
Version1.0
Created at2021-01-13 17:44:04 UTC
Updated at2021-01-13 17:44:05 UTC
CannabisDB IDCDB006389
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common Name2-Methyl-6-propylpyrazine
Description2-Methyl-6-propylpyrazine belongs to the class of organic compounds known as pyrazines. Pyrazines 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. 2-Methyl-6-propylpyrazine is a moderately basic compound (based on its pKa). 2-Methyl-6-propylpyrazine is a burnt hazelnut tasting compound. 2-Methyl-6-propylpyrazine is formed during the combustion of cannabis and it can be found in cannabis smoke.
Structure
Thumb
SynonymsNot Available
Chemical FormulaC8H12N2
Average Molecular Weight136.198
Monoisotopic Molecular Weight136.100048394
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
CCCC1=CN=CC(C)=N1
InChI Identifier
InChI=1S/C8H12N2/c1-3-4-8-6-9-5-7(2)10-8/h5-6H,3-4H2,1-2H3
InChI KeyRMVVGACFOGJRMQ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyrazines. Pyrazines 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.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazines
Sub ClassPyrazines
Direct ParentPyrazines
Alternative Parents
Substituents
  • Pyrazine
  • Heteroaromatic compound
  • Azacycle
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Not Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
logPNot AvailableNot Available
Predicted Properties
PropertyValueSource
Spectra
Pathways
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Protein Targets
EnzymesNot Available
TransportersNot Available
Metal BindingsNot Available
ReceptorsNot Available
Transcriptional FactorsNot Available
Concentrations Data
Not Available
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDC00061310
Chemspider ID109117
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound122380
PDB IDNot Available
ChEBI IDNot Available
References
General ReferencesNot Available