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2,3-dimethyl-5-isopentylpyrazine
PHCD compound ID : 2180
Chemical Names :
2,3-dimethyl-5-isopentylpyrazine
Molecular Formula : C11H18N2
Molecular Weight : 178.146999
More Details :
Names & Synonyms: 5-isopentyl-2,3-dimethyl-pyrazine , 2,3-dimethyl-5-(3-methylbutyl)pyrazine , 5-isoamyl-2,3-dimethyl-pyrazine
Smiles: CC(CCc1cnc(c(n1)C)C)C
InChi : InChI=1S/C11H18N2/c1-8(2)5-6-11-7-12-9(3)10(4)13-11/h7-8H,5-6H2,1-4H3
InChi Key : InChIKey=OGUJUYCURMHXHG-UHFFFAOYSA-N
PubChem ID : 519566
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.525256
Hydrogen bond donor count : 0 Electric dipole moment : 0.920
XLogP : 1.913 VDW volume : 189.639975
Molecular weight : 178.146999 HOMO-LUMO gap : 9.247000
Herb list :
Refrences & Litretures:
  
257.      Journal:'J. Agric. Food Chem'      Year:'2012'      Volume:'60'      Page:'9097'      DOI:'10.1021/jf301800x'      Title:'Antioxidant Activities of Extracts from Teas Prepared from Medicinal Plants, Morus alba L., Camellia sinensis L., and Cudrania tricuspidata, and Their Volatile Components'
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