(3E)-4-{4-[Bis(2-Chloroethyl)Amino]Phenyl}-3-Butenoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C14H17Cl2NO2
IUPAC Name (e)-4-[4-[bis(2-chloroethyl)amino]phenyl]but-3-enoic acid
Molecular Mass 302.196 g·mol−1
Heat of Formation -363.6 ± 16.7 kJ·mol−1
Dipole Moment 1.77 ± 1.08 D
Volume 352.76 Å 3
Surface Area 320.9 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-4-[4-[bis(2-chloroethyl)amino]phenyl]but-3-enoic acid
  • 3,4-dehydrochlorambucil
  • 3,4-deshydrochlorambucil
  • 3-butenoic acid, 4-(4-(bis(2-chloroethyl)amino)phenyl)-, (e)-
CAS Number(s)
  • 73027-06-2
InChIKey PXOQTPQOIMSYSF-OWOJBTEDSA-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