4-[(4-{4-[Bis(2-Chloroethyl)Amino]Phenyl}Butanoyl)Amino]Benzoic Acid

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Properties Simple | Detailed

Formula C21H24Cl2N2O3
IUPAC Name 4-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]benzoic acid
Molecular Mass 423.333 g·mol−1
Heat of Formation -523.9 ± 16.7 kJ·mol−1
Dipole Moment 6.04 ± 1.08 D
Volume 494.13 Å 3
Surface Area 444.48 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutyl]amino]benzoic acid
  • c 72
  • n-(p-di(2-chloroethyl)aminophenylbutyryl)-p-aminobenzoic acid
  • ts 72
  • ts-72
CAS Number(s)
  • 80497-41-2
InChIKey YUBXXCXMEWHANB-UHFFFAOYSA-N
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Elements H C N O Cl