4-{2-[(4-Azido-2-Nitrophenyl)Amino]Ethyl}-2,6-Diiodophenyl Hexanoate

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Properties Simple | Detailed

Formula C20H22I2N5O4
IUPAC Name [4-[2-(4-azido-2-nitro-anilino)ethyl]-2,6-diiodo-phenyl] hexanoate
Molecular Mass 650.229 g·mol−1
Heat of Formation 168.0 ± 16.7 kJ·mol−1
Dipole Moment 7.23 ± 1.08 D
Volume 557.4 Å 3
Surface Area 481.95 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • [4-[2-[(4-azido-2-nitro-phenyl)amino]ethyl]-2,6-diiodo-phenyl] hexanoate
  • [4-[2-[(4-azido-2-nitrophenyl)amino]ethyl]-2,6-diiodophenyl] hexanoate
  • hdianpt
  • hexanoic acid [4-[2-[(4-azido-2-nitro-phenyl)amino]ethyl]-2,6-diiodo-phenyl] ester
  • hexanoic acid [4-[2-[(4-azido-2-nitrophenyl)amino]ethyl]-2,6-diiodophenyl] ester
  • hexanoic acid, 4-(2-((4-azido-2-nitrophenyl)amino)ethyl)-2,6-diiodophenyl ester
  • hexanoyldiiodo-n-(4-azido-2-nitrophenyl)tyramine
CAS Number(s)
  • 73794-11-3
InChIKey FLASAKRFULSAFP-UHFFFAOYSA-N
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