N,2,2-Tris(2-Chloroethyl)-N-Nitrosohydrazinecarboxamide

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Properties Simple | Detailed

Formula C7H13Cl3N4O2
IUPAC Name 3-[bis(2-chloroethyl)amino]-1-(2-chloroethyl)-1-nitroso-urea
Molecular Mass 291.563 g·mol−1
Heat of Formation -208.7 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 318.91 Å 3
Surface Area 288.98 Å 2
HOMO Energy -10.65 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 1,1-dcncs
  • 1,1-di-(2-chloroethyl)-4-nitroso-4-(2-chloroethyl)semicarbazide
  • 3-[bis(2-chloroethyl)amino]-1-(2-chloroethyl)-1-nitrosourea
  • hydrazinecarboxamide, n,2,2-tris(2-chloroethyl)-n-nitroso-
CAS Number(s)
  • 127158-47-8
InChIKey MMDWYNNMADUUBE-UHFFFAOYSA-N
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Elements H C N O Cl