2,2',2'',2'''-{1,2-Ethanediylbis[Oxy(4-Bromo-2,1-Phenylene)Nitrilo]}Tetraacetic Acid

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Properties Simple | Detailed

Formula C22H22Br2N2O10
IUPAC Name 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-bromo-phenoxy]ethoxy]-4-bromo-n-(carboxymethyl)anilino]acetic acid
Molecular Mass 634.225 g·mol−1
Heat of Formation -1583.2 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 588.35 Å 3
Surface Area 451.03 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (1,2-bis(2-bis)(carboxymethyl)amino-5-bromophenoxy)ethane
  • 1,2-bis(2-bis(2-amino-5-bromophenoxy)ethane)-n,n,n',n'-tetraacetic acid
  • 2-[[2-[2-[2-(bis(carboxymethyl)amino)-5-bromo-phenoxy]ethoxy]-4-bromo-phenyl]-(carboxymethyl)amino]acetic acid
  • 2-[[2-[2-[2-(bis(carboxymethyl)amino)-5-bromo-phenoxy]ethoxy]-4-bromo-phenyl]-(carboxymethyl)amino]ethanoic acid
  • 2-[[2-[2-[2-(bis(carboxymethyl)amino)-5-bromophenoxy]ethoxy]-4-bromophenyl]-(carboxymethyl)amino]acetic acid
  • 5,5'-dibromo-1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid
  • 5,5'-dibromo-bapta
  • dibromo-bapta
  • glycine, n,n'-(1,2-ethanediylbis(oxy(4-bromo-2,1-phenylene)))bis(n-(carboxymethyl)-
CAS Number(s)
  • 111248-72-7
InChIKey KCTRRYZOCJDOTC-UHFFFAOYSA-N
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Elements H C O Br N