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ScientificNameLabel
Diphenhydramine-M(nor-)
PHCD compound ID : 3745
Chemical Names :
Diphenhydramine-M(nor-)
Molecular Formula : C17H21N1O1
Molecular Weight : 255.162314
More Details :
Names & Synonyms: 2-benzhydryloxy-N,N-dimethyl-ethanamine , 2-(diphenylmethyl)oxy-N,N-dimethylethanamine , 2-benzhydryloxy-N,N-dimethylethanamine , 2-(diphenylmethyl)oxy-N,N-dimethyl-ethanamine , 2-benzhydryloxyethyl(dimethyl)amine
Smiles: CN(CCO[C@@H](c1ccccc1)c1ccccc1)C
InChi : InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
InChi Key : InChIKey=ZZVUWRFHKOJYTH-UHFFFAOYSA-N
PubChem ID : 3100
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.909108
Hydrogen bond donor count : 0 Electric dipole moment : 1.031
XLogP : 1.922 VDW volume : 260.043515
Molecular weight : 255.162314 HOMO-LUMO gap : 9.043000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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