1-(4-{4-[Bis(2-Chloroethyl)Amino]Phenyl}Butanoyl)-L-Proline

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Formula C19H26Cl2N2O3
IUPAC Name (2s)-1-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]pyrrolidine-2-carboxylic acid
Molecular Mass 401.327 g·mol−1
Heat of Formation -647.1 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 472.78 Å 3
Surface Area 410.76 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutyl]-2-pyrrolidinecarboxylic acid
  • (2s)-1-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]proline
  • (2s)-1-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]pyrrolidine-2-carboxylic acid
  • chlorambucyl-proline
  • l-proline, 1-(4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutyl)-
  • n-(4-(4-(n,n-bis(2-chloroethyl)amino)phenyl)butyryl)-l-proline
CAS Number(s)
  • 81050-71-7
InChIKey YNNHDRBQITYXLB-KRWDZBQOSA-N
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