2,2,4,4,6,6,8,8-Octa(1-Pyrrolidinyl)-1,3,5,7,2Lambda~5~,4Lambda~5~,6Lambda~5~,8Lambda~5~-Tetrazatetraphosphocine

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Properties Simple | Detailed

Formula C32H64N12P4
IUPAC Name methylidyne-[(2s,6r)-2,4,6,8-tetrakis(buta-1,3-diynylamino)-4-(2-methyleneaziridin-1-yl)-6,8-bis(methylidyneammonio)-1,3,5,7,2,4,6,8-tetrazatetraphosphocane-2,4,6,8-tetraium-2-yl]ammonium; prop-1-yne
Molecular Mass 740.826 g·mol−1
Heat of Formation -193.4 ± 16.7 kJ·mol−1
Dipole Moment 0.66 ± 1.08 D
Volume 944.44 Å 3
Surface Area 583.74 Å 2
HOMO Energy -6.40 ± 0.55 eV
LUMO Energy 1.21 ± eV
Point Group Symmetry C2
Synonyms
  • 1,3,5,7,2,4,6,8-tetrazatetraphosphocine, 2,2,4,4,6,6,8,8-octahydro-2,2,4,4,6,6,8,8-octa-1-pyrrolidinyl-
  • 2,2,4,4,6,6,8,8-octa-1-pyrrolidinyl-1,3,5,7,2,4,6,8-tetraphosphazene
  • 2,2,4,4,6,6,8,8-octa1-pyrrolidinyl-1,3,5,7-tetraza-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetraphosphacycloocta-1,3,5,7-tetraene
  • 2,2,4,4,6,6,8,8-octapyrrolidin-1-yl-1,3,5,7-tetraza-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetraphosphacycloocta-1,3,5,7-tetraene
CAS Number(s)
  • 68294-34-8
InChIKey RRBKVDUFWLMNAC-UHFFFAOYSA-N
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