(1R,7S,7As)-7-(Hydroxymethyl)Hexahydro-1H-Pyrrolizin-1-Ol

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Properties Simple | Detailed

Formula C8H15NO2
IUPAC Name (1r,4r,7s,8s)-7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1h-pyrrolizin-1-ol
Molecular Mass 157.210 g·mol−1
Heat of Formation -403.0 ± 16.7 kJ·mol−1
Dipole Moment 0.76 ± 1.08 D
Volume 202.75 Å 3
Surface Area 190.46 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 5.56 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,7s,8s)-7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1h-pyrrolizin-1-ol
  • (1r,7s,8s)-7-methylolpyrrolizidin-1-ol
  • 1h-pyrrolizine-1-methanol, hexahydro-7-hydroxy-, (1s-(1alpha,7alpha,7aalpha))-
  • hastanecine
CAS Number(s)
  • 480-84-2
InChIKey QWOXSTGOGUNUGF-PRJMDXOYSA-N
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