{3-[(1-Benzyl-1H-Indazol-3-Yl)Oxy]Propyl}Dimethylamine Oxide

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Properties Simple | Detailed

Formula C19H23N3O2
IUPAC Name 3-(1-benzylindazol-1-ium-2-id-3-yl)oxy-n,n-dimethyl-propan-1-amine oxide
Molecular Mass 325.405 g·mol−1
Heat of Formation 198.4 ± 16.7 kJ·mol−1
Dipole Moment 6.23 ± 1.08 D
Volume 410.59 Å 3
Surface Area 363.26 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
Synonyms
  • 1-propanamine, n,n-dimethyl-3-((1-(phenylmethyl)-1h-indazol-3-yl)oxy)-, n-oxide
  • 3-[1-(benzyl)indazol-3-yl]oxy-n,n-dimethyl-propan-1-amine oxide
  • benzydamine n-oxide
  • n,n-dimethyl-3-[1-(phenylmethyl)indazol-3-yl]oxy-propan-1-amine oxide
  • n,n-dimethyl-3-[1-(phenylmethyl)indazol-3-yl]oxypropan-1-amine oxide
  • n,n-dimethyl-3-[[1-(phenylmethyl)-3-indazolyl]oxy]propan-1-amine oxide
CAS Number(s)
  • 36504-71-9
InChIKey VHKKEFPZHPEYJK-UHFFFAOYSA-N
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