O-{4-[Bis(2-Chloroethyl)Amino]Phenyl}Tyrosine

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Properties Simple | Detailed

Formula C19H22Cl2N2O3
IUPAC Name (2s)-2-amino-3-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]propanoic acid
Molecular Mass 397.296 g·mol−1
Heat of Formation -446.1 ± 16.7 kJ·mol−1
Dipole Moment 0.27 ± 1.08 D
Volume 460.89 Å 3
Surface Area 396.12 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]propanoic acid
  • (2s)-2-amino-3-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]propionic acid
InChIKey IDJLCKJFVNGXOP-SFHVURJKSA-N
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Elements H C N O Cl