3-Tert-Butoxy-N-Methylmorphinan

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Properties Simple | Detailed

Formula C21H31NO
IUPAC Name (1r,9r,10r)-4-tert-butoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
Molecular Mass 313.477 g·mol−1
Heat of Formation -264.0 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 413.48 Å 3
Surface Area 326.51 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 3-o-tert-butyllevorphanol
  • morphinan, 3-(1,1-dimethylethoxy)-17-methyl-
CAS Number(s)
  • 50299-98-4
InChIKey HWTLPRHSBYNYIX-FBBABVLZSA-N
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