2,5-Diaziridinyl-3,6-Biscarboethoxyamino-1,4-Benzoquinone

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Properties Simple | Detailed

Formula C16H20N4O6
IUPAC Name ethyl n-[2,5-bis(aziridin-1-yl)-4-(ethoxycarbonylamino)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]carbamate
Molecular Mass 364.353 g·mol−1
Heat of Formation -553.8 ± 16.7 kJ·mol−1
Dipole Moment 0.01 ± 1.08 D
Volume 415.94 Å 3
Surface Area 373.08 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.77 ± eV
Point Group Symmetry Ci
Synonyms
  • 1,4-cyclohexadiene-1,4-dicarbamic acid, 2,5-bis(1-aziridinyl)-3,6-dioxo-, diethyl ester
  • 2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-dicarbamic acid, diethyl ester
  • 2,5-diaziridinyl-3,6-bis(carboethoxyamino)-1,4-benzoquinone
  • 3,6-bis(carboxyamino)-2,5-diaziridinyl-1,4-benzoquinone
  • 3,6-diaziridinyl-2,5-bis(carboethoxyamino)-1,4-benzoquinone
  • aziridinylbenzoquinone
  • aziridinylquinone
  • azq
  • carbamic acid, (2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadien-1,4-diyl)bis-,
  • carbamic acid, (2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis-, diethyl ester
  • carbamic acid, [2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl]bis-, diethyl ester
  • ci 904
  • d03774
  • diaziquone
  • diaziquone (usan)
  • diethyl 2,5-bis-(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-dicarbamate
  • ethyl n-[2,5-bis(aziridin-1-yl)-4-(ethoxycarbonylamino)-3,6-dioxo-1-cyclohexa-1,4-dienyl]carbamate
  • n-[2,5-bis(1-aziridinyl)-4-(ethoxycarbonylamino)-3,6-dioxo-1-cyclohexa-1,4-dienyl]carbamic acid ethyl ester
  • n-[4-(carbethoxyamino)-2,5-diethylenimino-3,6-diketo-1-cyclohexa-1,4-dienyl]carbamic acid ethyl ester
CAS Number(s)
  • 57998-68-2
InChIKey WVYXNIXAMZOZFK-UHFFFAOYSA-N
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