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ScientificNameLabel
Musk ambrette
PHCD compound ID : 4547
Chemical Names :
Musk ambrette
Molecular Formula : C12H16N2O5
Molecular Weight : 268.105922
More Details :
Names & Synonyms: 1-tert-butyl-2-methoxy-4-methyl-3,5-dinitro-benzene , 1-tert-butyl-2-methoxy-4-methyl-3,5-dinitrobenzene
Smiles: COc1c([N+](=O)[O-])c(C)c(cc1C(C)(C)C)[N+](=O)[O-]
InChi : InChI=1S/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H3
InChi Key : InChIKey=SUAUILGSCPYJCS-UHFFFAOYSA-N
PubChem ID : 6753
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.000039
Hydrogen bond donor count : 0 Electric dipole moment : 5.105
XLogP : 3.232 VDW volume : 245.614176
Molecular weight : 268.105922 HOMO-LUMO gap : 8.601000
Herb list :
Refrences & Litretures:
  
687.      Journal:'Iranian Journal of Pharmaceutical Research'      Year:'2012'      Volume:'11'      Page:'1219'      DOI:''      Title:'Hepatoprotective and Hypolipidemic Effects of Satureja Khuzestanica Essential Oil in Alloxan-induced Type 1 Diabetic Rats'
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