4'-{[(2S)-3-(Tert-Butylamino)-2-Hydroxypropyl]Oxy}Spiro[Cyclohexane-1,2'-Inden]-1'(3'H)-One

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Properties Simple | Detailed

Formula C21H31NO3
IUPAC Name 4'-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]spiro[cyclohexane-1,2'-indane]-1'-one
Molecular Mass 345.476 g·mol−1
Heat of Formation -583.1 ± 16.7 kJ·mol−1
Dipole Moment 1.30 ± 1.08 D
Volume 448.4 Å 3
Surface Area 351.58 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • 4'-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]spiro[cyclohexane-1,2'-indane]-1'-one
  • 4'-[(2s)-3-(tert-butylamino)-2-hydroxypropoxy]-1'-spiro[cyclohexane-1,2'-indane]one
  • 4-(3-tert-butylamino-2-hydroxypropoxy)spiro(cyclohexane-1,2-indan)-1-one
  • 4-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]spiro[3h-indene-2,1'-cyclohexane]-1-one
  • 4-[(2s)-3-(tert-butylamino)-2-hydroxypropoxy]spiro[3h-indene-2,1'-cyclohexane]-1-one
  • l1 32-468
  • li 32-468
  • li 32468
  • san 32-468
  • sandoz l1 32-468
  • spiro(cyclohexane-1,2'-(2h)inden)-1'(3'h)-one, 4'-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, (s)-
CAS Number(s)
  • 81840-58-6
InChIKey YLBMSIZZTJEEIO-HNNXBMFYSA-N
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