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ScientificNameLabel
3-methoxy-4-hydroxy-beta-phenethyltrimethylammonium hydroxide
PHCD compound ID : 2551
Chemical Names :
3-methoxy-4-hydroxy-beta-phenethyltrimethylammonium hydroxide
Molecular Formula : C12H21N1O3
Molecular Weight : 210.149404
More Details :
Names & Synonyms:
Smiles: COc1cc(ccc1O)CC[N](C)(C)C.[OH]
InChi : InChI=1S/C12H20NO2.HO/c1-13(2,3)8-7-10-5-6-11(14)12(9-10)15-4;/h5-6,9,14H,7-8H2,1-4H3;1H
InChi Key : InChIKey=VEBGOEBYBXSUKS-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.411701
Hydrogen bond donor count : 1 Electric dipole moment : 6.777
XLogP : 0.648 VDW volume : 214.837882
Molecular weight : 210.149404 HOMO-LUMO gap : 8.157000
Herb list :
Refrences & Litretures:
  
294.      Journal:'International Journal of Herbal Medicine'      Year:'2014'      Volume:'2'      Page:'47'      DOI:''      Title:'Alhagi pseudalhagi: a review of its phyto-chemistry, pharmacology, folklore claims and Ayurvedic studies'
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