[{2-[{5-[(Bromoacetyl)Amino]-2-Hydroxybenzyl}(Carboxymethyl)Amino]Ethyl}(2-Hydroxy-3,5-Dimethylbenzyl)Amino]Acetic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C24H30BrN3O7
IUPAC Name 2-[2-[[5-(2-bromoacetyl)azanidyl-2-oxido-benzene-4-id-1-yl]methyl-(carboxylatomethyl)amino]ethyl-[(3,5-dimethyl-2-oxido-phenyl)methyl]amino]acetate
Molecular Mass 552.415 g·mol−1
Heat of Formation -1219.9 ± 16.7 kJ·mol−1
Dipole Moment 2.17 ± 1.08 D
Volume 595.04 Å 3
Surface Area 433.18 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-[[5-(2-bromoethanoylamino)-2-hydroxy-phenyl]methyl-(carboxymethyl)amino]ethyl-[(2-hydroxy-3,5-dimethyl-phenyl)methyl]amino]ethanoic acid
  • 2-[2-[[5-[(2-bromo-1-oxoethyl)amino]-2-hydroxyphenyl]methyl-(carboxymethyl)amino]ethyl-[(2-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid
  • 2-[2-[[5-[(2-bromoacetyl)amino]-2-hydroxy-benzyl]-(carboxymethyl)amino]ethyl-(2-hydroxy-3,5-dimethyl-benzyl)amino]acetic acid
  • 2-[2-[[5-[(2-bromoacetyl)amino]-2-hydroxyphenyl]methyl-(carboxymethyl)amino]ethyl-[(2-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid
  • brme2hbed
  • n-(2-hydroxy-3,5-dimethylbenzyl)-n-(2-hydroxy-5-bromoacetamidobenzyl)ethylenediamine-n,n'-diacetic acid
CAS Number(s)
  • 126753-16-0
InChIKey TYGKKGMYKKRIJH-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br N