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3,6-Diacetoxytropane
PHCD compound ID : 1963
Chemical Names :
3,6-Diacetoxytropane
Molecular Formula : C12H19N1O4
Molecular Weight : 241.131408
More Details :
Names & Synonyms: (6-acetoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) acetate , acetic acid (6-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester , (6-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) acetate , (6-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ethanoate , acetic acid (6-acetoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester
Smiles: CC(=O)O[C@@H]1C[C@H]2C[C@@H]([C@@H](C1)N2C)OC(=O)C
InChi : InChI=1S/C12H19NO4/c1-7(14)16-10-4-9-5-12(17-8(2)15)11(6-10)13(9)3/h9-12H,4-6H2,1-3H3/t9-,10+,11+,12-/m0/s1
InChi Key : InChIKey=ZBNGGJNWFWYOJK-QCNOEVLYSA-N
PubChem ID : 565072
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 9.078694
Hydrogen bond donor count : 0 Electric dipole moment : 2.407
XLogP : 0.927 VDW volume : 232.280106
Molecular weight : 241.131408 HOMO-LUMO gap : 10.079000
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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