(2E)-N-[2-(2-Amino-1H-Imidazol-5-Yl)Ethyl]-3-[4-(3-Aminopropoxy)-3,5-Dibromophenyl]-2-(Hydroxyimino)Propanamide

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Properties Simple | Detailed

Formula C17H22Br2N6O3
IUPAC Name (2e)-n-[2-(2-aminoimidazol-3-ium-4-ylium-4-yl)ethyl]-3-[4-(3-aminopropoxy)-3,5-dibromo-phenyl]-2-hydroxyimino-propanamide
Molecular Mass 518.203 g·mol−1
Heat of Formation -189.9 ± 16.7 kJ·mol−1
Dipole Moment 5.16 ± 1.08 D
Volume 492.97 Å 3
Surface Area 364.7 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (2e)-n-[2-(2-amino-3h-imidazol-4-yl)ethyl]-3-[4-(3-aminopropoxy)-3,5-dibromo-phenyl]-2-hydroximino-propionamide
  • (2e)-n-[2-(2-amino-3h-imidazol-4-yl)ethyl]-3-[4-(3-aminopropoxy)-3,5-dibromo-phenyl]-2-hydroxyimino-propanamide
  • (2e)-n-[2-(2-amino-3h-imidazol-4-yl)ethyl]-3-[4-(3-aminopropoxy)-3,5-dibromophenyl]-2-hydroxyiminopropanamide
  • benzenepropanamide, n-(2-(2-amino-1h-imidazol-4-yl)ethyl)-4-(3-aminopropoxy)-3,5-dibromo-alpha-(hydroxyimino)-
  • benzenepropanamide, n-[2-(2-amino-1h-imidazol-5-yl)ethyl]-4-(3-aminopropoxy)-3,5-dibromo-.alpha.-(hydroxyimino)-
  • purealidin a
CAS Number(s)
  • 134850-51-4
InChIKey VZDKEGKTDBWXJY-AFUMVMLFSA-N
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Elements H C O Br N