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ScientificNameLabel
3-Acetoxytropane
PHCD compound ID : 1959
Chemical Names :
3-Acetoxytropane
Molecular Formula : C10H17N1O2
Molecular Weight : 183.125929
More Details :
Names & Synonyms: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate , acetic acid [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester , [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ethanoate
Smiles: CC(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C
InChi : InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10-
InChi Key : InChIKey=MDIDMOWWLBGYPG-ILWJIGKKSA-N
PubChem ID : 10559369
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.035986
Hydrogen bond donor count : 0 Electric dipole moment : 1.675
XLogP : 1.217 VDW volume : 182.744142
Molecular weight : 183.125929 HOMO-LUMO gap : 10.299000
Herb list :
Refrences & Litretures:
  
232.      Journal:'Zeitschrift fur Naturforschung C'      Year:'2003'      Volume:'58'      Page:'42'      DOI:''      Title:'Alkaloid Spectrum in Diploid and Tetraploid Hairy Root Cultures of Datura stramonium'
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