3-(3-{3-[Carbamoyl(4-Nitrophenyl)Amino]Phenoxy}Propoxy)Benzenecarboximidamide

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Properties Simple | Detailed

Formula C23H23N5O5
IUPAC Name 1-[3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl]-1-(4-nitrophenyl)urea
Molecular Mass 449.459 g·mol−1
Heat of Formation -185.1 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 525.97 Å 3
Surface Area 394.88 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 1.78 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[3-[3-(3-amidinophenoxy)propoxy]phenyl]-1-(4-nitrophenyl)urea
  • 3-(3-(4-nitrophenylureido)phenoxypropoxy)benzamidine
  • 3-(m-(p-nitrophenylureido)phenoxypropoxy)benzamidine
  • m-(m-(p-nitrophenylureido)phenoxypropoxy)benzamidine
  • urea, n-(3-(3-(3-(aminoiminomethyl)phenoxy)propoxy)phenyl)-n'-(4-nitrophenyl)-
CAS Number(s)
  • 23604-33-3
InChIKey XUXSLXLOSZGJLM-UHFFFAOYSA-N
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