4,11-Diamino-2-(3-Methoxypropyl)-1H-Naphth(2,3-F)Isoindol-1,3,5,10(2H)-Tetrone

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Properties Simple | Detailed

Formula C20H17N3O5
IUPAC Name 4,11-diamino-2-(3-methoxypropyl)naphtho[2,3-f]isoindole-1,3,5,10-tetrone
Molecular Mass 379.366 g·mol−1
Heat of Formation -573.7 ± 16.7 kJ·mol−1
Dipole Moment 1.66 ± 1.08 D
Volume 409.74 Å 3
Surface Area 366.79 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy -2.34 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,4-diamino-9,10-dihydro-n-(3-methoxypropyl)-9,10-dioxo-2,3-anthracenedicarboximide
  • 1,4-diamino-n-(3-methoxypropyl)anthraquinone-2,3-dicarboximide
  • 1,4-diaminoanthraquinon-n-gamma-methoxypropyl-2,3-dicarboximide
  • 1h-naphth(2,3-f)isoindole-1,3,5,10(2h)-tetrone, 4,11-diamino-2-(3-methoxypropyl)-
  • 4,11-diamino-2-(3-methoxypropyl)naphtho[3,2-f]isoindole-1,3,5,10-diquinone
  • 4,11-diamino-2-(3-methoxypropyl)naphtho[3,2-f]isoindole-1,3,5,10-tetrone
  • c.i. disperse blue 60
CAS Number(s)
  • 12217-80-0
  • 12222-94-5
  • 3316-13-0
  • 76416-97-2
InChIKey WBCXRDHKXHADQF-UHFFFAOYSA-N
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