Neostigmine

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Properties Simple | Detailed

Formula C12H19N2O2+
IUPAC Name [3-(dimethylcarbamoyloxy)phenyl]-trimethyl-ammonium
Molecular Mass 223.291 g·mol−1
Heat of Formation 2371.5 ± 16.7 kJ·mol−1
Dipole Moment 1.79 ± 1.08 D
Volume 247.35 Å 3
Surface Area 244.15 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -2.71 ± eV
Point Group Symmetry C1
Synonyms
  • (m-hydroxyphenyl)trimethylammonium dimethylcarbamate (ester)
  • 3-trimethylammoniumphenyl n,n-dimethylcarbamate
  • 3-{[(dimethylamino)carbonyl]oxy}-n,n,n-trimethylanilinium
  • [3-(dimethylamino-oxomethoxy)phenyl]-trimethylammonium
  • [3-(dimethylcarbamoyloxy)phenyl]-trimethyl-ammonium
  • [3-(dimethylcarbamoyloxy)phenyl]-trimethyl-azanium
  • ammonium, (m-hydroxyphenyl)trimethyl-, dimethylcarbamate (ester)
  • benzenaminium, 3-(((dimethylamino)carbonyl)oxy)-n,n,n-trimethyl-
  • benzenaminium, 3-(((dimethylamino)carbonyl)oxy)-n,n,n-trimethyl- (9ci)
  • bpbio1_000634
  • eustigmin
  • eustigmine
  • intrastigmina
  • m-trimethylammoniumphenyldimethylcarbamate
  • neostigmin
  • neostigminum
  • vagostigmine
CAS Number(s)
  • 59-99-4
InChIKey ALWKGYPQUAPLQC-UHFFFAOYSA-N
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