N~2~-[(2-Chloroethyl)(Nitroso)Carbamoyl]-L-Aspartamide

Molecule SVG Image

Properties Simple | Detailed

Formula C7H12ClN5O4
IUPAC Name (2s)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]butanediamide
Molecular Mass 265.654 g·mol−1
Heat of Formation -585.0 ± 16.7 kJ·mol−1
Dipole Moment 7.25 ± 1.08 D
Volume 290.15 Å 3
Surface Area 271.02 Å 2
HOMO Energy -10.10 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(2-chloroethyl-nitroso-carbamoyl)amino]butanediamide
  • (2s)-2-[(2-chloroethyl-nitroso-carbamoyl)amino]succinamide
  • (2s)-2-[[(2-chloroethyl-nitrosoamino)-oxomethyl]amino]butanediamide
  • aspcnu
  • butanediamide, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-, (s)-
  • n-chloroethylnitrosourea asparaginamide
  • n-chloroethylnitrosourea-l-asparaginamide
CAS Number(s)
  • 81965-31-3
InChIKey PTNPUCCEFVDWCK-BYPYZUCNSA-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