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ScientificNameLabel
p-Coumaroylagmatine
PHCD compound ID : 2412
Chemical Names :
p-Coumaroylagmatine
Molecular Formula : C14H20N4O2
Molecular Weight : 276.158626
More Details :
Names & Synonyms: (E)-N-(4-guanidinobutyl)-3-(4-hydroxyphenyl)prop-2-enamide , (E)-N-[4-(diaminomethylideneamino)butyl]-3-(4-hydroxyphenyl)-2-propenamide , (E)-N-[4-(diaminomethylideneamino)butyl]-3-(4-hydroxyphenyl)prop-2-enamide , (E)-N-[4-[bis(azanyl)methylideneamino]butyl]-3-(4-hydroxyphenyl)prop-2-enamide , (E)-N-(4-guanidinobutyl)-3-(4-hydroxyphenyl)acrylamide
Smiles: O=C(/C=C/c1ccc(cc1)O)NCCCCN=C(N)N
InChi : InChI=1S/C14H20N4O2/c15-14(16)18-10-2-1-9-17-13(20)8-5-11-3-6-12(19)7-4-11/h3-8,19H,1-2,9-10H2,(H,17,20)(H4,15,16,18)/b8-5+
InChi Key : InChIKey=AKIHYQWCLCDMMI-VMPITWQZSA-N
PubChem ID : 5280691
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 9.047592
Hydrogen bond donor count : 4 Electric dipole moment : 8.172
XLogP : 0.203 VDW volume : 273.192527
Molecular weight : 276.158626 HOMO-LUMO gap : 8.689000
Herb list :
Refrences & Litretures:
  
268.      Journal:'Allelopathy Journal'      Year:'2009'      Volume:'24'      Page:'225'      DOI:''      Title:'Allelopathic Plants. 19. Barley (Hordeum vulgare L)'
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