9-Ammonio-3-Bromo-5-{[2-(Dimethylamino)Ethyl]Carbamoyl}Acridinium

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Properties Simple | Detailed

Formula C18H21BrN4O++
IUPAC Name 2-[(9-amino-6-bromo-acridin-10-ium-4-carbonyl)amino]ethyl-dimethyl-ammonium
Molecular Mass 389.290 g·mol−1
Heat of Formation 177.7 ± 16.7 kJ·mol−1
Dipole Moment 12.66 ± 1.08 D
Volume 413.59 Å 3
Surface Area 327.17 Å 2
HOMO Energy -6.17 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • 6-bromo-9-amino-n-ethyl(diaminomethyl)acridine-4-carboxamide
  • 6br20686
  • [3-bromo-5-(2-dimethylaminoethylcarbamoyl)acridin-10-ium-9-yl]ammonium
  • [3-bromo-5-[(2-dimethylaminoethylamino)-oxomethyl]-9-acridin-10-iumyl]ammonium
  • da6
InChIKey HBKKAYCZISIMFL-UHFFFAOYSA-P
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Elements H C O Br N