Skip Navigation Links
ScientificNameLabel
2-Methylbutyronitrile
PHCD compound ID : 2595
Chemical Names :
2-Methylbutyronitrile
Molecular Formula : C5H9N1
Molecular Weight : 83.073499
More Details :
Names & Synonyms: 2-methylbutanenitrile , 2-methylbutyronitrile
Smiles: C[C@@H](C#N)CC
InChi : InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3/t5-/m1/s1
InChi Key : InChIKey=RCEJCSULJQNRQQ-RXMQYKEDSA-N
PubChem ID : 29339
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 11.927140
Hydrogen bond donor count : 0 Electric dipole moment : 3.951
XLogP : 1.146 VDW volume : 100.760225
Molecular weight : 83.073499 HOMO-LUMO gap : 13.218000
Herb list :
Refrences & Litretures:
  
302.      Journal:'Food Chemistry'      Year:'2014'      Volume:'165'      Page:'560'      DOI:'10.1016/j.foodchem.2014.05.126'      Title:'Chemical composition, antimicrobial property and microencapsulation of Mustard (Sinapis alba) seed essential oil by complex coacervation'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us