[4-(Dimethylamino)-1-Hydroxy-1,1-Butanediyl]Bis(Phosphonic Acid)

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Properties Simple | Detailed

Formula C6H17NO7P2
IUPAC Name [4-(dimethylamino)-1-hydroxy-1-phosphono-butyl]phosphonic acid
Molecular Mass 277.149 g·mol−1
Heat of Formation -1752.6 ± 16.7 kJ·mol−1
Dipole Moment 3.13 ± 1.08 D
Volume 304.94 Å 3
Surface Area 266.36 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (4-dimethylamino-1-hydroxy-1-phosphono-butyl)phosphonic acid
  • 4-n,n-dimethylamino-1-hydroxybutylidene-1,1-diphosphonic acid
  • 4me2abd
  • phosphonic acid, (4-(dimethylamino)-1-hydroxybutylidene)bis-
CAS Number(s)
  • 104361-73-1
InChIKey VYDQNPISZFUMRU-UHFFFAOYSA-N
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