2-[(2-Chloroethyl)(Propyl)Amino]Ethyl Hydroxy(Diphenyl)Acetate

Molecule SVG Image

Properties Simple | Detailed

Formula C21H26ClNO3
IUPAC Name 2-[2-chloroethyl(propyl)amino]ethyl 2-hydroxy-2,2-diphenyl-acetate
Molecular Mass 375.889 g·mol−1
Heat of Formation -436.2 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 470.29 Å 3
Surface Area 358.49 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-chloroethyl-propyl-amino)ethyl 2-hydroxy-2,2-di(phenyl)acetate
  • 2-(2-chloroethyl-propyl-amino)ethyl 2-hydroxy-2,2-di(phenyl)ethanoate
  • 2-(2-chloroethyl-propylamino)ethyl 2-hydroxy-2,2-di(phenyl)acetate
  • 2-hydroxy-2,2-di(phenyl)acetic acid 2-(2-chloroethyl-propyl-amino)ethyl ester
  • 2-hydroxy-2,2-di(phenyl)acetic acid 2-(2-chloroethyl-propylamino)ethyl ester
  • benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 2-((2-chloroethyl)propylamino)ethyl ester
  • propylbenzilylcholine mustard
CAS Number(s)
  • 36167-80-3
InChIKey ADUIJCCNUGTGDH-UHFFFAOYSA-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