1-Acetyl-N-(2-Chloroethyl)-3-Oxo-2-Triazanecarboxamide

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Properties Simple | Detailed

Formula C5H9ClN4O3
IUPAC Name 1-acetamido-3-(2-chloroethyl)-1-nitroso-urea
Molecular Mass 208.603 g·mol−1
Heat of Formation -308.4 ± 16.7 kJ·mol−1
Dipole Moment 5.35 ± 1.08 D
Volume 229.13 Å 3
Surface Area 212.11 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-chloroethyl)-1-nitroso-3-(methylenecarboxamido)urea
  • acetamido-cnu
  • acetic acid, 4-(2-chloroethyl)-2-nitrososemicarbazide
CAS Number(s)
  • 102585-46-6
InChIKey XSIXQOVOUVBLCV-UHFFFAOYSA-N
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Elements H C N O Cl