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

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Properties Simple | Detailed

Formula C18H21BrN4O+
IUPAC Name [3-bromo-5-[2-(dimethylamino)ethylcarbamoyl]acridin-10-ium-9-yl]ammonium
Molecular Mass 389.290 g·mol−1
Heat of Formation 121.1 ± 16.7 kJ·mol−1
Dipole Moment 9.60 ± 1.08 D
Volume 409.57 Å 3
Surface Area 367.26 Å 2
HOMO Energy -6.80 ± 0.55 eV
LUMO Energy -0.54 ± 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