8-({2-[(Iodoacetyl)Amino]Ethyl}Amino)-1-Naphthalenesulfonic Acid

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Properties Simple | Detailed

Formula C14H17IN2O4S
IUPAC Name 2-iodo-n-[2-[(8-sulfo-1-naphthyl)amino]ethyl]acetamide
Molecular Mass 436.265 g·mol−1
Heat of Formation -499.7 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 380.65 Å 3
Surface Area 317.92 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • 1,8-i-aedans
  • 1-naphthalenesulfonic acid, 8-[[2-[(iodoacetyl)amino]ethyl]amino]-
  • 8-((2-(iodoacetamido)ethyl)amino)naphthalene-1-sulphonic acid
  • 8-[2-(2-iodoacetamido)ethylamino]-1-naphthalenesulfonic acid
  • 8-[2-(2-iodoethanoylamino)ethylamino]naphthalene-1-sulfonic acid
  • 8-[2-[(2-iodo-1-oxoethyl)amino]ethylamino]-1-naphthalenesulfonic acid
  • n-iodoacetyl-n′-(8-sulfo-1-naphthyl)ethylenediamine
  • n-iodoacetyl-n'-(8-sulfo-1-naphthyl)ethylenediamine
CAS Number(s)
  • 36930-64-0
InChIKey ZDIHEEHLFMMPKM-UHFFFAOYSA-N
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