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Compound: 5546
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References: 992
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2-ethyl-3,5-dimethylpyrazine
ScientificNameLabel
2-ethyl-3,5-dimethylpyrazine
PHCD compound ID :
2759
Chemical Names :
2-ethyl-3,5-dimethylpyrazine , 3,5-dimethyl-2-ethylpyrazine
Molecular Formula :
C8H12N2
Molecular Weight :
136.100048
More Details :
Names & Synonyms:
2-ethyl-3,5-dimethyl-pyrazine , 2-ethyl-3,5-dimethylpyrazine
Smiles:
CCc1ncc(nc1C)C
InChi :
InChI=1S/C8H12N2/c1-4-8-7(3)10-6(2)5-9-8/h5H,4H2,1-3H3
InChi Key :
InChIKey=JZBCTZLGKSYRSF-UHFFFAOYSA-N
PubChem ID :
26334
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
9.574827
Hydrogen bond donor count :
0
Electric dipole moment :
0.799
XLogP :
0.267
VDW volume :
137.752021
Molecular weight :
136.100048
HOMO-LUMO gap :
9.267000
Herb list :
Hazel, Filbert - Corylus avellana - فندق
Opium poppy - Papaver somniferum - خشخاش، تریاک
Refrences & Litretures:
317. Journal:'J. Agric. Food Chem' Year:'2005' Volume:'53' Page:'8310' DOI:'10.1021/jf0580869' Title:'Analysis of Volatile Compounds and Triglycerides of Seed Oils Extracted from Different Poppy Varieties (Papaver somniferum L.)'
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)'
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