3-({Bis[(2-Chloroethyl)Amino]Phosphoryl}Oxy)Propanoic Acid

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Properties Simple | Detailed

Formula C7H15Cl2N2O4P
IUPAC Name 3-bis(2-chloroethylamino)phosphoryloxypropanoic acid
Molecular Mass 293.085 g·mol−1
Heat of Formation -1082.9 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 310.16 Å 3
Surface Area 265.73 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 3.03 ± eV
Point Group Symmetry C1
Synonyms
  • 3-bis(2-chloroethylamino)phosphoryloxypropionic acid
  • carboxyifosfamide
  • propanoic acid, 3-((bis((2-chloroethyl)amino)phosphinyl)oxy)-
CAS Number(s)
  • 53459-52-2
InChIKey DNDBVHDNSYHKLI-UHFFFAOYSA-N
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Elements C Cl H O N P