1,4,7-Tris(Carboxymethyl)-1,4,7,10-Tetraazacyclododecane

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Properties Simple | Detailed

Formula C14H26N4O6
IUPAC Name 2-[(1r,7r)-4,7-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular Mass 346.379 g·mol−1
Heat of Formation -1044.0 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 408.98 Å 3
Surface Area 310.64 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
  • 2-[4,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid
InChIKey HHLZCENAOIROSL-UHFFFAOYSA-N
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