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ScientificNameLabel
2-Pentanonitrile
PHCD compound ID : 5278
Chemical Names :
2-Pentanonitrile
Molecular Formula : C5H9N1
Molecular Weight : 83.073499
More Details :
Names & Synonyms: pentanenitrile , valeronitrile
Smiles: CCCCC#N
InChi : InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3
InChi Key : InChIKey=RFFFKMOABOFIDF-UHFFFAOYSA-N
PubChem ID : 8061
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 11.748542
Hydrogen bond donor count : 0 Electric dipole moment : 4.058
XLogP : 1.422 VDW volume : 100.760225
Molecular weight : 83.073499 HOMO-LUMO gap : 12.964000
Herb list :
Refrences & Litretures:
  
844.      Journal:'Flavour Fragr. J'      Year:'2002'      Volume:'17'      Page:'187'      DOI:'10.1002/ffj.1079'      Title:'Composition of the essential oil from the leaves of Eruca sativa'
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