Melphalan

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Properties Simple | Detailed

Formula C13H18Cl2N2O2
IUPAC Name (2s)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
Molecular Mass 305.200 g·mol−1
Heat of Formation -405.4 ± 16.7 kJ·mol−1
Dipole Moment 2.37 ± 1.08 D
Volume 356.17 Å 3
Surface Area 314.36 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
  • (2s)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propionic acid
  • 4-[bis(2-chloroethyl)amino]-l-phenylalanine
  • alanine, 3-[p-[bis(2-chloroethyl)amino]phenyl]-monohydrochloride, l-
  • d00369
  • melphalan (jp15/usp)
  • smp2_000174
InChIKey SGDBTWWWUNNDEQ-LBPRGKRZSA-N
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Elements H C N O Cl