6-[(2-Aminoethyl)(Ethyl)Amino]-2,3-Dihydro-1,4-Phthalazinedione

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Properties Simple | Detailed

Formula C12H16N4O2
IUPAC Name 6-[2-aminoethyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione
Molecular Mass 248.281 g·mol−1
Heat of Formation -139.1 ± 16.7 kJ·mol−1
Dipole Moment 4.74 ± 1.08 D
Volume 295.48 Å 3
Surface Area 271.12 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-phthalazinedione, 6-((2-aminoethyl)ethylamino)-2,3-dihydro-
  • 6-(2-aminoethyl-ethyl-amino)-2,3-dihydrophthalazine-1,4-dione
  • 6-(2-aminoethyl-ethyl-amino)-2,3-dihydrophthalazine-1,4-quinone
  • 6-(2-aminoethyl-ethylamino)-2,3-dihydrophthalazine-1,4-dione
  • 6-(n-(4-aminoethyl)-n-ethyl)amino-2,3-dihydro-1,4-phthalazine-1,4-dione
  • aeei
  • bim-0004798.p001
  • cbmicro_004514
  • chemdiv2_000687
CAS Number(s)
  • 80944-67-8
InChIKey FDKRWZJDFCVMQQ-UHFFFAOYSA-N
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