4-[Bis(2-Chloroethyl)Amino]-2-Iodo-L-Phenylalanine

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Properties Simple | Detailed

Formula C13H17Cl2IN2O2
IUPAC Name (2s)-2-amino-3-[4-[bis(2-chloroethyl)amino]-2-iodo-phenyl]propanoic acid
Molecular Mass 431.097 g·mol−1
Heat of Formation -331.6 ± 16.7 kJ·mol−1
Dipole Moment 2.91 ± 1.08 D
Volume 397.98 Å 3
Surface Area 339.18 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[4-[bis(2-chloroethyl)amino]-2-iodo-phenyl]propanoic acid
  • (2s)-2-amino-3-[4-[bis(2-chloroethyl)amino]-2-iodo-phenyl]propionic acid
  • (2s)-2-amino-3-[4-[bis(2-chloroethyl)amino]-2-iodophenyl]propanoic acid
  • 3-(4-(bis(2-chloroethyl)amino)-2-iodophenyl)-l-alanine
  • 4-(bis(2-chloroethyl)amino)-2-iodo-l-phenylalanine
  • iodomelphalan
  • l-phenylalanine, 4-(bis(2-chloroethyl)amino)-2-iodo-
CAS Number(s)
  • 51554-04-2
InChIKey SVVJSDYLMJZYBX-LBPRGKRZSA-N
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