3-[Bis(2-Chloroethyl)Amino]-6-Methyl-L-Phenylalanine

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Properties Simple | Detailed

Formula C14H20Cl2N2O2
IUPAC Name (2s)-2-amino-3-[5-[bis(2-chloroethyl)amino]-2-methyl-phenyl]propanoic acid
Molecular Mass 319.227 g·mol−1
Heat of Formation -464.6 ± 16.7 kJ·mol−1
Dipole Moment 3.03 ± 1.08 D
Volume 373.7 Å 3
Surface Area 302.56 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[5-[bis(2-chloroethyl)amino]-2-methyl-phenyl]propanoic acid
  • (2s)-2-amino-3-[5-[bis(2-chloroethyl)amino]-2-methyl-phenyl]propionic acid
  • (2s)-2-amino-3-[5-[bis(2-chloroethyl)amino]-2-methylphenyl]propanoic acid
  • 2-methyl-5-bis(beta-chloroethyl)aminophenylalanine
  • at 1420
  • dl-phenylalanine, 5-(bis(2-chloroethyl)amino)-2-methyl-
CAS Number(s)
  • 74980-06-6
InChIKey UUTGSFMMHKOJCA-ZDUSSCGKSA-N
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