2-{4-[Bis(2-Chloroethyl)Amino]Phenyl}Ethyl Acetate

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Properties Simple | Detailed

Formula C14H19Cl2NO2
IUPAC Name 2-[4-[bis(2-chloroethyl)amino]phenyl]ethyl acetate
Molecular Mass 304.212 g·mol−1
Heat of Formation -433.7 ± 16.7 kJ·mol−1
Dipole Moment 2.30 ± 1.08 D
Volume 362.49 Å 3
Surface Area 316.0 Å 2
HOMO Energy -8.08 ± 0.55 eV
LUMO Energy 0.30 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[bis(2-chloroethyl)amino]phenyl]ethyl ethanoate
  • 4-(bis(2-chloroethyl)amino)benzeneethanol acetate (ester)
  • acetic acid 2-[4-[bis(2-chloroethyl)amino]phenyl]ethyl ester
  • acetic acid, (p-(bis(2-chloroethyl)amino)phenylethyl) ester
  • benzeneethanol, 4-(bis(2-chloroethyl)amino)-, acetate (ester)
  • p-(bis(2-chloroethyl)amino)phenylacetic acid ethyl ester
  • phenester
  • phenethyl alcohol, p-(bis(2-chloroethyl)amino)-, acetate (ester) (8ci)
CAS Number(s)
  • 29427-51-8
InChIKey QEADDMRPIXYSTF-UHFFFAOYSA-N
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