6-(Aziridin-1-Yl)-5,8-Dioxo-5,8-Dihydronaphthalen-1-Yl 4-Tert-Butylbenzenesulfonate

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Properties Simple | Detailed

Formula C22H21NO5S
IUPAC Name [6-(aziridin-1-yl)-5,8-dioxo-1-naphthyl] 4-tert-butylbenzenesulfonate
Molecular Mass 411.471 g·mol−1
Heat of Formation -394.5 ± 16.7 kJ·mol−1
Dipole Moment 6.77 ± 1.08 D
Volume 469.07 Å 3
Surface Area 403.75 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
Synonyms
  • 2-anqbb
  • 2-aziridinyl-1,4-naphthoquinon-5-yl 4-tert-butylbenzenesulfonate
  • 4-tert-butylbenzenesulfonic acid (6-ethylenimino-5,8-diketo-1-naphthyl) ester
  • 4-tert-butylbenzenesulfonic acid [6-(1-aziridinyl)-5,8-dioxo-1-naphthyl] ester
  • [6-(aziridin-1-yl)-5,8-dioxo-naphthalen-1-yl] 4-tert-butylbenzenesulfonate
  • [6-(aziridin-1-yl)-5,8-dioxonaphthalen-1-yl] 4-tert-butylbenzenesulfonate
  • benzenesulfonic acid, 4-(1,1-dimethylethyl)-, 6-(1-aziridinyl)-5,8-dihydro-5,8-dioxo-1-naphthalenyl ester
CAS Number(s)
  • 133042-00-9
InChIKey UFXITINRXJOWMR-UHFFFAOYSA-N
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