3,5-Diamino-N-(N'-Benzylcarbamimidoyl)-6-Bromo-2-Pyrazinecarboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C13H14BrN7O
IUPAC Name 3,5-diamino-n-[(e)-n'-benzylcarbamimidoyl]-6-bromo-pyrazine-2-carboxamide
Molecular Mass 364.201 g·mol−1
Heat of Formation 140.2 ± 16.7 kJ·mol−1
Dipole Moment 5.01 ± 1.08 D
Volume 355.8 Å 3
Surface Area 335.28 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 3,5-diamino-6-bromo-n-(amino(benzylamino)methylene)pyrazinecarboxamide
  • 3,5-diamino-n-(n'-(benzyl)carbamimidoyl)-6-bromo-pyrazinamide
  • 3,5-diamino-n-[amino-(phenylmethylimino)methyl]-6-bromo-2-pyrazinecarboxamide
  • 6-bromobenzamil
  • br-benzamil
  • pyrazinecarboxamide, 3,5-diamino-6-bromo-n-(imino((phenylmethyl)amino)methyl)-
CAS Number(s)
  • 98057-31-9
InChIKey RHLPMOVLAQNEKH-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br N