N,2-Bis(2-Chloroethyl)-2-Methyl-N-Nitrosohydrazinecarboxamide

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Properties Simple | Detailed

Formula C6H12Cl2N4O2
IUPAC Name 1-(2-chloroethyl)-3-[2-chloroethyl(methyl)amino]-1-nitroso-urea
Molecular Mass 243.091 g·mol−1
Heat of Formation -160.9 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 270.13 Å 3
Surface Area 255.17 Å 2
HOMO Energy -10.47 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-chloroethyl)-3-(2-chloroethyl-methyl-amino)-1-nitroso-urea
  • 1-(2-chloroethyl)-3-(2-chloroethyl-methylamino)-1-nitrosourea
  • 1-mcncs
  • 1-methyl-1-(2-chloroethyl)-4-nitroso-4-(2-chloroethyl)semicarbazide
  • hydrazinecarboxamide, n,2-bis(2-chloroethyl)-2-methyl-n-nitroso-
CAS Number(s)
  • 127158-46-7
InChIKey SXBPVGJLMLWEAP-UHFFFAOYSA-N
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Elements H C N O Cl