Brinazarone

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Properties Simple | Detailed

Formula C25H47N2O2+
IUPAC Name [4-[3-(tert-butylamino)propoxy]cyclohexyl]-(2-isopropyl-5,6,7,8-tetrahydro-1h-indolizine-1,2,3,5,6,7,8,8a-octaid-3-yl)methanone
Molecular Mass 407.653 g·mol−1
Heat of Formation -184.7 ± 16.7 kJ·mol−1
Dipole Moment 4.13 ± 1.08 D
Volume 513.18 Å 3
Surface Area 443.05 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • [4-[3-(tert-butylamino)propoxy]phenyl]-(2-isopropyl-3-indolizinyl)methanone
  • [4-[3-(tert-butylamino)propoxy]phenyl]-(2-isopropylindolizin-3-yl)methanone
  • [4-[3-(tert-butylamino)propoxy]phenyl]-(2-propan-2-ylindolizin-3-yl)methanone
  • methanone, (4-(3-((1,1-dimethylethyl)amino)propoxy)phenyl)(2-(1-methylethyl)-3-indolizinyl)-
  • p-(3-(tert-butylamino)propoxy)phenyl 2-isopropyl-3-indolizinyl ketone
  • sr 33287
CAS Number(s)
  • 89622-90-2
InChIKey ZVRBFQSPBKYIAR-UHFFFAOYSA-N
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