2,2',2''-(1,4,7-Triazonane-1,4,7-Triyl)Triacetic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C12H21N3O6
IUPAC Name 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
Molecular Mass 303.312 g·mol−1
Heat of Formation -1036.3 ± 16.7 kJ·mol−1
Dipole Moment 9.11 ± 1.08 D
Volume 343.39 Å 3
Surface Area 258.16 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 3.97 ± eV
Point Group Symmetry C3
Synonyms
  • 1,4,7-triazacyclononane-n,n',n''-triacetic acid
  • 1h-1,4,7-triazonine-1,4,7-triacetic acid, hexahydro-
  • 1h-1,4,7-triazonine-1,4,7-triacetic acid, octahydro-
  • 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]ethanoic acid
  • 67ga-9n3
  • hexahydro-1h-1,4,7-triazonine-1,4,7-triacetic acid
  • nota
CAS Number(s)
  • 56491-86-2
InChIKey JHALWMSZGCVVEM-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 N