2-(1-Aziridinyl)-5,6,7,8-Tetrahydro-1,4-Naphthalenedione

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Properties Simple | Detailed

Formula C12H13NO2
IUPAC Name 2-(aziridin-1-yl)-5,6,7,8-tetrahydronaphthalene-1,4-dione
Molecular Mass 203.237 g·mol−1
Heat of Formation -53.1 ± 16.7 kJ·mol−1
Dipole Moment 1.40 ± 1.08 D
Volume 245.12 Å 3
Surface Area 228.08 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy -1.51 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-naphthalenedione, 2-(1-aziridinyl)-5,6,7,8-tetrahydro- (9ci)
  • 1,4-naphthoquinone, 2-(1-aziridinyl)-5,6,7,8-tetrahydro-
  • 2-(1-aziridinyl)-5,6,7,8-tetrahydronaphthalene-1,4-dione
  • 2-(1-azridinyl)-5,6,7,8-tetrahydro-1,4-naphthalenedione
  • 2-ethyleneimino-5,6,7,8-tetrahydronaphthoquinone-1,4
  • 2-ethylenimino-5,6,7,8-tetrahydronaphthalene-1,4-quinone
  • 2-ethylenimino-5,6,7,8-tetrahydronaphthoquinone-1,4
  • a 137
CAS Number(s)
  • 443-76-5
InChIKey MWOHJANRPKUELV-UHFFFAOYSA-N
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