2-{[(2-Chloroethyl)(Nitroso)Carbamoyl]Amino}Ethyl Methanesulfonate

Molecule SVG Image

Properties Simple | Detailed

Formula C6H12ClN3O5S
IUPAC Name 2-[[2-chloroethyl(nitroso)carbamoyl]amino]ethyl methanesulfonate
Molecular Mass 273.695 g·mol−1
Heat of Formation -748.6 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 287.19 Å 3
Surface Area 272.79 Å 2
HOMO Energy -10.32 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-chloroethyl)-3-(2-methylsulfonyloxyethyl)-1-nitrosourea
  • 1-(2-methanesulfonyloxyethyl)-3-(2-chloroethyl)-3-nitrosourea
  • 2-(3-(2-chloroethyl)3-nitrosoureido)ethyl methane sulfonate
  • 2-[(2-chloroethyl-nitroso-carbamoyl)amino]ethyl methanesulfonate
  • 2-[(2-chloroethyl-nitrosocarbamoyl)amino]ethyl methanesulfonate
  • cnuems
  • ethanol, 2-(3-(2-chloroethyl)-3-nitroso-1-ureido)-, methanesulfonate
  • ethylmethanesulfonato-cnu
  • hecnu-ms
  • hydroxyethyl cnu methanesulphonate
  • hydroxyethyl-cnu-methanesulfonate
  • methanesulfonic acid 2-[(2-chloroethyl-nitroso-carbamoyl)amino]ethyl ester
  • methanesulfonic acid 2-[[(2-chloroethyl-nitrosoamino)-oxomethyl]amino]ethyl ester
  • methanesulfonic acid, 2-(3-(2-chloroethyl)-3-nitrosoureido)ethyl ester
  • urea, 1-(2-chloroethyl)-3-(2-hydroxyethyl)-1-nitroso-, methanesulfonate
  • urea, n-(2-chloroethyl)-n'-(2-((methylsulfonyl)oxy)ethyl)-n-nitroso-
  • urea, n-(2-chloroethyl)-n'-[2-[(methylsulfonyl)oxy]ethyl]-n-nitroso-
  • ys4986100
CAS Number(s)
  • 61866-12-4
InChIKey DXQWOICMDIEAOK-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S