Skip Navigation Links
ScientificNameLabel
Oxynicotine
PHCD compound ID : 5337
Chemical Names :
Oxynicotine
Molecular Formula : C10H14N2O1
Molecular Weight : 178.110613
More Details :
Names & Synonyms: 3-[(2S)-1-methyl-1-oxido-pyrrolidin-1-ium-2-yl]pyridine , 3-[(2S)-1-methyl-1-oxido-2-pyrrolidin-1-iumyl]pyridine , 3-[(2S)-1-methyl-1-oxidopyrrolidin-1-ium-2-yl]pyridine , 3-[(2S)-1-methyl-1-oxidopyrrolidin-1-ium-2-yl]pyridine , 3-[(2S)-1-methyl-1-oxidanidyl-pyrrolidin-1-ium-2-yl]pyridine
Smiles: [O-][N@@+]1(C)CCC[C@H]1c1cccnc1
InChi : InChI=1S/C10H14N2O/c1-12(13)7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-,12-/m0/s1
InChi Key : InChIKey=RWFBQHICRCUQJJ-JQWIXIFHSA-N
PubChem ID : 68107
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.853520
Hydrogen bond donor count : 0 Electric dipole moment : 7.040
XLogP : -0.407 VDW volume : 168.777759
Molecular weight : 178.110613 HOMO-LUMO gap : 8.746000
Herb list :
Refrences & Litretures:
  
870.      Journal:'International Journal of Food Studies'      Year:'2020'      Volume:'9'      Page:'146'      DOI:'10.7455/ijfs/9.1.2020.a2'      Title:'Chemical Constituents in Leaves and Aroma Products of Nicotiana rustica L. Tobacco'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us