9-[(4-Aminobutyl)(Ethyl)Amino]-2,3-Dihydrobenzo[F]Phthalazine-1,4-Dione

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Properties Simple | Detailed

Formula C18H22N4O2
IUPAC Name 9-[4-aminobutyl(ethyl)amino]-2,3-dihydrobenzo[f]phthalazine-1,4-dione
Molecular Mass 326.393 g·mol−1
Heat of Formation -118.7 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 393.04 Å 3
Surface Area 334.9 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • 9-((4-aminobutyl)ethylamino)-2,3-dihydrobenzo(f)phthalazine-1,4-dione
  • 9-(4-aminobutyl-ethyl-amino)-2,3-dihydrobenzo[f]phthalazine-1,4-dione
  • 9-(4-aminobutyl-ethyl-amino)-2,3-dihydrobenzo[f]phthalazine-1,4-quinone
  • 9-(4-aminobutyl-ethylamino)-2,3-dihydrobenzo[f]phthalazine-1,4-dione
  • 9-(n-(4-aminobutyl)-n-ethyl)aminobenzo(f)phthalazine-1,4-(2h,3h)dione
  • aben
  • benzo(f)phthalazine-1,4-dione, 9-((4-aminobutyl)ethylamino)-2,3-dihydro-
CAS Number(s)
  • 71368-30-4
InChIKey YXABPEFHTDVSNN-UHFFFAOYSA-N
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