N-({4-[Bis(2-Chloroethyl)Amino]Phenyl}Acetyl)-L-Phenylalanine

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Properties Simple | Detailed

Formula C21H24Cl2N2O3
IUPAC Name (2s)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-phenyl-propanoic acid
Molecular Mass 423.333 g·mol−1
Heat of Formation -507.1 ± 16.7 kJ·mol−1
Dipole Moment 3.81 ± 1.08 D
Volume 506.87 Å 3
Surface Area 413.46 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoylamino]-3-phenyl-propanoic acid
  • (2s)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxoethyl]amino]-3-phenylpropanoic acid
  • (2s)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-phenyl-propanoic acid
  • (2s)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-phenyl-propionic acid
  • (2s)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-phenylpropanoic acid
  • dl-phenylalanine, n-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-
  • lofenal
  • n-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-dl-phenylalanine
CAS Number(s)
  • 10047-08-2
  • 12684-20-7
InChIKey WOJORPYBSQEBBK-IBGZPJMESA-N
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