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ScientificNameLabel
3,6-dimethyl-2-ethylpyrazine
PHCD compound ID : 4019
Chemical Names :
3,6-dimethyl-2-ethylpyrazine , 2-ethyl-3,6-dimethyl-pyrazine
Molecular Formula : C8H12N2
Molecular Weight : 136.100048
More Details :
Names & Synonyms: 3-ethyl-2,5-dimethyl-pyrazine , 3-ethyl-2,5-dimethylpyrazine
Smiles: CCc1nc(C)cnc1C
InChi : InChI=1S/C8H12N2/c1-4-8-7(3)9-5-6(2)10-8/h5H,4H2,1-3H3
InChi Key : InChIKey=WHMWOHBXYIZFPF-UHFFFAOYSA-N
PubChem ID : 25916
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.567949
Hydrogen bond donor count : 0 Electric dipole moment : 0.840
XLogP : 0.267 VDW volume : 137.752021
Molecular weight : 136.100048 HOMO-LUMO gap : 9.257000
Herb list :
Refrences & Litretures:
  
553.      Journal:'J. Agric. Food Chem'      Year:'2013'      Volume:'61'      Page:'5226'      DOI:'10.1021/jf400807w'      Title:'Sensomics Analysis of Key Hazelnut Odorants (Corylus avellana L.‘Tonda Gentile’) Using Comprehensive Two-Dimensional Gas Chromatography in Combination with Time-of-Flight Mass Spectrometry (GC×GC-TOF-MS)'
589.      Journal:'Food Chemistry'      Year:'2004'      Volume:'84'      Page:'367'      DOI:'10.1016/S0308-8146(03)00241-3'      Title:'Changes in chemical composition of pumpkin seeds during the roasting process for production of pumpkin seed oil (Part 2: volatile compounds)'
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