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ScientificNameLabel
2-Phenylethyl cyanide
PHCD compound ID : 2602
Chemical Names :
2-Phenylethyl cyanide , Benzenepropanenitrile , 3-Phenylpropiono nitrile
Molecular Formula : C9H9N1
Molecular Weight : 131.073499
More Details :
Names & Synonyms: 3-phenylpropanenitrile , 3-phenylpropionitrile
Smiles: N#CCCc1ccccc1
InChi : InChI=1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2
InChi Key : InChIKey=ACRWYXSKEHUQDB-UHFFFAOYSA-N
PubChem ID : 12581
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.882452
Hydrogen bond donor count : 0 Electric dipole moment : 3.758
XLogP : 1.744 VDW volume : 138.778328
Molecular weight : 131.073499 HOMO-LUMO gap : 9.804000
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'
304.      Journal:'Research Journal of Pharmaceutical, Biological and Chemical Sciences'      Year:'2011'      Volume:'2'      Page:'1136'      DOI:''      Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil from Sinapis alba L. and Sinapis arvensis L. (Brassicaceae) growing wild in Jordan'
505.      Journal:'Microchemical Journal'      Year:'2009'      Volume:'93'      Page:'140'      DOI:'10.1016/j.microc.2009.05.011'      Title:'Evolution of Brassica rapa var. rapa L. volatile composition by HS-SPME and GC/IT-MS'
508.      Journal:'Flavour Fragr. J'      Year:'2005'      Volume:'20'      Page:'158'      DOI:'10.1002/ffj.1335'      Title:'Volatile components of the leaves of Brassica rapa L. var. perviridis Bailey'
753.      Journal:'Journal of Essential Oil Research'      Year:'2006'      Volume:'18'      Page:'508'      DOI:'org/10.1080/10412905.2006.9699155'      Title:'Identification of the Key Aroma Compounds in Dried Roots of Isatis tinctoria'
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