O-{2-[(7-Aminoheptyl)Amino]Ethyl} Dihydrogen Phosphorothioate

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Properties Simple | Detailed

Formula C9H23N2O3PS
IUPAC Name n'-(2-dihydroxyphosphinothioyloxyethyl)heptane-1,7-diamine
Molecular Mass 270.329 g·mol−1
Heat of Formation -928.2 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 337.09 Å 3
Surface Area 329.54 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • 7-aminoheptyl-(2-dihydroxythiophosphoryloxyethyl)amine
  • ethanethiol, 2-((7-aminoheptyl)amino)-, dihydrogen phosphorothioate (ester)
  • n-(2-dihydroxyphosphinothioyloxyethyl)heptane-1,7-diamine
  • s-(2-((aminoheptyl)amino)ethyl)phosphorothiate
  • s-2-(7-aminoheptylamino)ethylphosphorothiate
  • s-ahep
CAS Number(s)
  • 120182-46-9
InChIKey QEZNCSPGVRTFHP-UHFFFAOYSA-N
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