5-({2-[(Bromoacetyl)Amino]Ethyl}Amino)-1-Naphthalenesulfonic Acid

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Properties Simple | Detailed

Formula C14H15BrN2O4S
IUPAC Name 5-[2-[(2-bromoacetyl)amino]ethylamino]naphthalene-1-sulfonic acid
Molecular Mass 387.249 g·mol−1
Heat of Formation -561.3 ± 16.7 kJ·mol−1
Dipole Moment 5.07 ± 1.08 D
Volume 371.13 Å 3
Surface Area 290.07 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
Synonyms
  • 1,5-br-aedans
  • 1-naphthalenesulfonic acid, 5-((2-((bromoacetyl)amino)ethyl)amino)-
  • 5-[2-(2-bromoethanoylamino)ethylamino]naphthalene-1-sulfonic acid
  • 5-[2-[(2-bromo-1-oxoethyl)amino]ethylamino]-1-naphthalenesulfonic acid
  • n-bromoacetyl-n'-(1-sulfo-5-naphthyl)ethylenediamine
CAS Number(s)
  • 87376-15-6
InChIKey GKESTBFZKKBEGP-UHFFFAOYSA-N
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Elements C H O N S Br