2-Aminoethyl 2-({[4-(4-Chlorophenoxy)Phenoxy]Acetyl}Amino)Ethyl Hydrogen Phosphate

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Properties Simple | Detailed

Formula C18H22ClN2O7P
IUPAC Name 2-aminoethyl 2-[[2-[4-(4-chlorophenoxy)phenoxy]acetyl]amino]ethyl hydrogen phosphate
Molecular Mass 444.803 g·mol−1
Heat of Formation -1346.6 ± 16.7 kJ·mol−1
Dipole Moment 4.79 ± 1.08 D
Volume 501.11 Å 3
Surface Area 393.75 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4-(4'-chlorophenoxy)phenoxyacetylamino)ethylphosphorylethanolamine
  • 2-aminoethyl 2-[2-[4-(4-chlorophenoxy)phenoxy]ethanoylamino]ethyl hydrogen phosphate
  • 2-aminoethyl 2-[[2-[4-(4-chlorophenoxy)phenoxy]-1-oxoethyl]amino]ethyl hydrogen phosphate
  • pe-104
  • phosphoric acid, mono(2-aminoethyl) mono(2-(4-(4-(chlorophenoxy)acetyl)amino)ethyl) ester
CAS Number(s)
  • 57039-16-4
InChIKey KGTCPALFAMCJQQ-UHFFFAOYSA-N
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Elements C Cl H O N P