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

Molecule SVG Image

Properties Simple | Detailed

Formula C14H20Cl2N2O3
IUPAC Name (2s)-2-amino-3-[4-[bis(2-chloroethyl)amino]-2-methoxy-phenyl]propanoic acid
Molecular Mass 335.226 g·mol−1
Heat of Formation -590.0 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 389.81 Å 3
Surface Area 325.79 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy 0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[4-[bis(2-chloroethyl)amino]-2-methoxy-phenyl]propanoic acid
  • (2s)-2-amino-3-[4-[bis(2-chloroethyl)amino]-2-methoxy-phenyl]propionic acid
  • (2s)-2-amino-3-[4-[bis(2-chloroethyl)amino]-2-methoxyphenyl]propanoic acid
  • mecaphane
  • phenylalanine, 4-(bis(2-chloroethyl)amino)-2-methoxy-
CAS Number(s)
  • 1952-97-2
InChIKey VKYIPXSTNJXGRF-LBPRGKRZSA-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