1,1-Dimethylethyl 4-(Bis(2-Chloroethyl)Amino)Benzenebutanoate

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Properties Simple | Detailed

Formula C18H27Cl2NO2
IUPAC Name tert-butyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Molecular Mass 360.318 g·mol−1
Heat of Formation -544.6 ± 16.7 kJ·mol−1
Dipole Moment 1.68 ± 1.08 D
Volume 451.51 Å 3
Surface Area 398.15 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid tert-butyl ester
  • 4-[4-[bis(2-chloroethyl)amino]phenyl]butyric acid tert-butyl ester
  • benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-, 1,1-dimethylethyl ester
  • chlorambucil-t-butyl ester
  • chlorambucil-tertiary butyl ester
CAS Number(s)
  • 119054-09-0
InChIKey SZXDOYFHSIIZCF-UHFFFAOYSA-N
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Elements H C N O Cl