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Compound: 5546
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References: 992
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Diphenhydramine-M(nor-)
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 :
Licorice, Liquorice - Glycyrrhiza glabra - شیرین بیان
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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