Diethyl {2-(1-Aziridinyl)-5-[(2-Hydroxyethyl)Amino]-3,6-Dioxo-1,4-Cyclohexadiene-1,4-Diyl}Biscarbamate

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Properties Simple | Detailed

Formula C16H22N4O7
IUPAC Name ethyl n-[2-(aziridin-1-yl)-4-(ethoxycarbonylamino)-5-(2-hydroxyethylamino)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]carbamate
Molecular Mass 382.368 g·mol−1
Heat of Formation -933.2 ± 16.7 kJ·mol−1
Dipole Moment 1.19 ± 1.08 D
Volume 432.92 Å 3
Surface Area 389.1 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
Synonyms
  • 2-aziridinyl-5-(2-hydroxyethylamino)-3,5-bis(carboethoxyamino)-1,4-benzoquinone
  • 2-aziridinyl-5-(2-hydroxyethylamino)-3,6-bis(c arboethoxyamino)-1,4-benzoquinone
  • azq monoaminoalcohol
  • azqmaa
  • carbamic acid, (2-(1-aziridinyl)-5-((2-hydroxyethyl)amino)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis-, diethyl ester
  • ethyl n-[2-(aziridin-1-yl)-4-(ethoxycarbonylamino)-5-(2-hydroxyethylamino)-3,6-dioxo-1-cyclohexa-1,4-dienyl]carbamate
  • n-[2-(1-aziridinyl)-4-(ethoxycarbonylamino)-5-(2-hydroxyethylamino)-3,6-dioxo-1-cyclohexa-1,4-dienyl]carbamic acid ethyl ester
  • n-[4-(carbethoxyamino)-2-ethylenimino-5-(2-hydroxyethylamino)-3,6-diketo-1-cyclohexa-1,4-dienyl]carbamic acid ethyl ester
CAS Number(s)
  • 77280-56-9
InChIKey ZQWSQVPKVLJKKM-UHFFFAOYSA-N
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