6-(1-Aziridinyl)-5,8-Dioxo-5,8-Dihydro-1-Naphthalenyl 4-Ethylbenzenesulfonate

Molecule SVG Image

Properties Simple | Detailed

Formula C20H17NO5S
IUPAC Name [6-(aziridin-1-yl)-5,8-dioxo-1-naphthyl] 4-ethylbenzenesulfonate
Molecular Mass 383.418 g·mol−1
Heat of Formation -351.2 ± 16.7 kJ·mol−1
Dipole Moment 6.47 ± 1.08 D
Volume 426.78 Å 3
Surface Area 375.54 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -1.51 ± eV
Point Group Symmetry C1
Synonyms
  • 2-anqeb
  • 2-aziridinyl-1,4-naphthoquinon-5-yl 4-ethylbenzenesulfonate
  • 4-ethylbenzenesulfonic acid (6-ethylenimino-5,8-diketo-1-naphthyl) ester
  • 4-ethylbenzenesulfonic acid [6-(1-aziridinyl)-5,8-dioxo-1-naphthyl] ester
  • [6-(aziridin-1-yl)-5,8-dioxo-naphthalen-1-yl] 4-ethylbenzenesulfonate
  • [6-(aziridin-1-yl)-5,8-dioxonaphthalen-1-yl] 4-ethylbenzenesulfonate
CAS Number(s)
  • 133041-99-3
InChIKey XQYMEAHEGCAQLN-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N