N-{4-[Bis(2-Chloroethyl)Amino]Benzoyl}-L-Glutamic Acid

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Properties Simple | Detailed

Formula C16H20Cl2N2O5
IUPAC Name (2s)-2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]pentanedioic acid
Molecular Mass 391.246 g·mol−1
Heat of Formation -998.3 ± 16.7 kJ·mol−1
Dipole Moment 4.16 ± 1.08 D
Volume 438.19 Å 3
Surface Area 383.03 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[bis(2-chloroethyl)amino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[bis(2-chloroethyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid
  • 4-n-bis(2-chloroethyl)aminobenzoylglutamic acid
  • cab-glutamic acid
  • l-glutamic acid, n-(4-(bis(2-chloroethyl)amino)benzoyl)-
CAS Number(s)
  • 3086-06-4
InChIKey LRCUUYWRKCVRFZ-ZDUSSCGKSA-N
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