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ScientificNameLabel
Selegiline-M (nor-HO-)
PHCD compound ID : 3710
Chemical Names :
Selegiline-M (nor-HO-)
Molecular Formula : C13H17N1
Molecular Weight : 187.1361
More Details :
Names & Synonyms: (2R)-N-methyl-1-phenyl-N-prop-2-ynyl-propan-2-amine , (2R)-N-methyl-1-phenyl-N-prop-2-ynyl-2-propanamine , (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine , methyl-[(1R)-1-methyl-2-phenyl-ethyl]-propargyl-amine
Smiles: C[C@@H](N(CC#C)C)Cc1ccccc1
InChi : InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
InChi Key : InChIKey=MEZLKOACVSPNER-GFCCVEGCSA-N
PubChem ID : 26757
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.860161
Hydrogen bond donor count : 0 Electric dipole moment : 1.763
XLogP : 2.463 VDW volume : 207.962267
Molecular weight : 187.1361 HOMO-LUMO gap : 9.118000
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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