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

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Properties Simple | Detailed

Formula C15H20Cl2N2O3
IUPAC Name (2s)-2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
Molecular Mass 347.237 g·mol−1
Heat of Formation -628.4 ± 16.7 kJ·mol−1
Dipole Moment 3.89 ± 1.08 D
Volume 410.22 Å 3
Surface Area 336.38 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propionic acid
InChIKey NZEYWBNQKCRBFO-AWEZNQCLSA-N
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Elements H C N O Cl