3-Oxo-3-Phenylpropyl N,N'-Bis(2-Chloroethyl)Phosphorodiamidate

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Properties Simple | Detailed

Formula C13H19Cl2N2O3P
IUPAC Name 3-bis(2-chloroethylamino)phosphoryloxy-1-phenyl-propan-1-one
Molecular Mass 353.181 g·mol−1
Heat of Formation -731.3 ± 16.7 kJ·mol−1
Dipole Moment 1.11 ± 1.08 D
Volume 391.95 Å 3
Surface Area 323.02 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 3-bis(2-chloroethylamino)phosphoryloxy-1-phenylpropan-1-one
  • phenylketoisophosphamide
  • phosphodiamidic acid, n,n'-bis(2-chloroethyl)-, 3-oxo-3-phenylpropyl ester
  • phosphorodiamidic acid, n,n'-bis(2-chloroethyl)-, 3-oxo-3-phenylpropyl ester
CAS Number(s)
  • 100993-69-9
InChIKey WPCURHQONDQDRY-UHFFFAOYSA-N
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Elements C Cl H O N P