S-(3-{[3-(Methylamino)Propyl]Amino}Propyl) Dihydrogen Phosphorothioate

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Properties Simple | Detailed

Formula C7H19N2O3PS
IUPAC Name 3-[3-(methylamino)propylamino]propylsulfanylphosphonic acid
Molecular Mass 242.276 g·mol−1
Heat of Formation -852.1 ± 16.7 kJ·mol−1
Dipole Moment 1.94 ± 1.08 D
Volume 292.32 Å 3
Surface Area 290.07 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry C1
Synonyms
  • 1-propanethiol, 3-((3-(methylamino)propyl)amino), dihydrogen phosphate (ester)
  • 1-propanethiol, 3-((3-(methylamino)propyl)amino), dihydrogen phosphate (ester) (9ci)
  • 1-propanethiol, 3-[[3-(methylamino)propyl]amino], dihydrogen phosphate (ester)
  • 3-(3-methylaminopropylamino)propylsulfanylphosphonic acid
  • [3-(3-methylaminopropylamino)propylthio]phosphonic acid
  • methylaminopropylaminopropylthiophosphorate
  • wr 151327
  • wr-151327
CAS Number(s)
  • 82147-31-7
InChIKey RJCFTKZFLQWQQX-UHFFFAOYSA-N
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