[(1-Isoquinolinylamino)Methylene]Bis(Phosphonic Acid)

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Properties Simple | Detailed

Formula C10H12N2O6P2
IUPAC Name [(1-isoquinolylamino)-phosphono-methyl]phosphonic acid
Molecular Mass 318.160 g·mol−1
Heat of Formation -1377.4 ± 16.7 kJ·mol−1
Dipole Moment 1.33 ± 1.08 D
Volume 322.16 Å 3
Surface Area 287.32 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • (3-isoquinolylamine) methylene-1,1-bisphosphonate
  • (3-isoquinolylamine)methylene-1,1-bisphosphonate
  • [(1-isoquinolylamino)-phosphonomethyl]phosphonic acid
  • [(isoquinolin-1-ylamino)-phosphono-methyl]-phosphonic acid
  • [(isoquinolin-1-ylamino)-phosphono-methyl]phosphonic acid
  • [(isoquinolin-1-ylamino)-phosphonomethyl]phosphonic acid
  • imb
InChIKey JPVMIOWESIQIGB-UHFFFAOYSA-N
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