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ScientificNameLabel
2-acetyl-1,4,5,6-tetrahydropyridine
PHCD compound ID : 4021
Chemical Names :
2-acetyl-1,4,5,6-tetrahydropyridine
Molecular Formula : C7H11N1O1
Molecular Weight : 125.084064
More Details :
Names & Synonyms: 1-(1,2,3,4-tetrahydropyridin-6-yl)ethanone
Smiles: CC(=O)C1=CCCCN1
InChi : InChI=1S/C7H11NO/c1-6(9)7-4-2-3-5-8-7/h4,8H,2-3,5H2,1H3
InChi Key : InChIKey=HRAOWRVFLSYJKN-UHFFFAOYSA-N
PubChem ID : 520194
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.583396
Hydrogen bond donor count : 1 Electric dipole moment : 3.480
XLogP : 0.736 VDW volume : 131.785962
Molecular weight : 125.084064 HOMO-LUMO gap : 8.772000
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)'
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