2-{[Bis(2-Chloroethyl)Amino]Methyl}-L-Phenylalanine

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Properties Simple | Detailed

Formula C14H20Cl2N2O2
IUPAC Name (2s)-2-amino-3-[2-[bis(2-chloroethyl)aminomethyl]phenyl]propanoic acid
Molecular Mass 319.227 g·mol−1
Heat of Formation -415.8 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 378.88 Å 3
Surface Area 316.31 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[2-[bis(2-chloroethyl)aminomethyl]phenyl]propanoic acid
  • (2s)-2-amino-3-[2-[bis(2-chloroethyl)aminomethyl]phenyl]propionic acid
  • o-(bis-(2-chloroethyl)-aminomethyl)phenylalanine
InChIKey IKQQYIXDSFFRTE-ZDUSSCGKSA-N
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Elements H C N O Cl