Skip Navigation Links
ScientificNameLabel
Terbutaline-H2O
PHCD compound ID : 3746
Chemical Names :
Terbutaline-H2O
Molecular Formula : C12H19N1O3
Molecular Weight : 225.136493
More Details :
Names & Synonyms: 5-[2-(tert-butylamino)-1-hydroxy-ethyl]benzene-1,3-diol , 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol , 5-[2-(tert-butylamino)-1-oxidanyl-ethyl]benzene-1,3-diol , 5-[2-(tert-butylamino)-1-hydroxy-ethyl]resorcinol
Smiles: O[C@H](c1cc(O)cc(c1)O)CNC(C)(C)C
InChi : InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3/t11-/m0/s1
InChi Key : InChIKey=XWTYSIMOBUGWOL-NSHDSACASA-N
PubChem ID : 5403
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.995561
Hydrogen bond donor count : 4 Electric dipole moment : 3.302
XLogP : 0.815 VDW volume : 222.30988
Molecular weight : 225.136493 HOMO-LUMO gap : 9.045000
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us