β-Alanyl-4-[Bis(2-Chloroethyl)Amino]-L-Phenylalanine

Molecule SVG Image

Properties Simple | Detailed

Formula C16H23Cl2N3O3
IUPAC Name (2s)-2-(3-aminopropanoylamino)-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
Molecular Mass 376.278 g·mol−1
Heat of Formation -641.7 ± 16.7 kJ·mol−1
Dipole Moment 3.76 ± 1.08 D
Volume 436.85 Å 3
Surface Area 341.2 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(3-aminopropanoylamino)-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
  • (2s)-2-(3-aminopropanoylamino)-3-[4-[bis(2-chloroethyl)amino]phenyl]propionic acid
  • (2s)-2-[(3-amino-1-oxopropyl)amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
  • beta-alanylmelphalan
  • l-phenylalanine, n-beta-alanyl-4-(bis(2-chloroethyl)amino)-
  • melphalan, beta-alanyl-
  • n-beta-alanyl-4-(bis(2-chloroethyl)amino)-l-phenylalanine
CAS Number(s)
  • 112710-37-9
InChIKey LORKXDSAKCGGGI-AWEZNQCLSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl