2,2-Bis(Hydroxymethyl)Quinuclidin-3-One

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Properties Simple | Detailed

Formula C9H15NO3
IUPAC Name 2,2-bis(hydroxymethyl)quinuclidin-3-one
Molecular Mass 185.220 g·mol−1
Heat of Formation -521.3 ± 16.7 kJ·mol−1
Dipole Moment 5.73 ± 1.08 D
Volume 219.1 Å 3
Surface Area 191.52 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy 0.43 ± eV
Point Group Symmetry C1
Synonyms
  • 1-azabicyclo[2.2.2]octan-3-one,2,2-bis(hydroxymethyl)-
  • 2,2-bis(hydroxymethyl)-1-azabicyclo[2,2,2]octan-3-one
  • 2,2-bis(hydroxymethyl)-3-quinuclidinone
  • 2,2-dimethylolquinuclidin-3-one
  • 3-quinuclidinone, 2,2-bis(hydroxymethyl)-
  • 7,7-bis(hydroxymethyl)-1-azabicyclo[2.2.2]octan-8-one
  • <b><u>p</b></u>53 <b><u>r</b></u>eactivation and <b><u>i</b></u>nduction of <b><u>m</b></u>assive apoptosis
  • bio2_000146
  • bio2_000626
  • prima-1
  • tocris-1862
CAS Number(s)
  • 5608-24-2
InChIKey RFBVBRVVOPAAFS-UHFFFAOYSA-N
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