N-Hydroxyethyl-N-Chloroethylnitrosourea

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Properties Simple | Detailed

Formula C5H10ClN3O3
IUPAC Name 1-(2-chloroethyl)-3-(2-hydroxyethyl)-1-nitroso-urea
Molecular Mass 195.604 g·mol−1
Heat of Formation -404.7 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 215.43 Å 3
Surface Area 213.64 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-chloroethyl)-3-(2-hydroxyethyl)-1-nitrosourea
  • 1-(2-hydroxyethyl)-3-(2-chloroethyl)-3-nitrosourea
  • 1-nitroso-1-chloroethyl-3-hydroxyethylurea
  • cnu-ethanol
  • elmustina [spanish]
  • elmustine
  • elmustinum [latin]
  • hecnu
  • hydroxyethyl cnu
  • n-(2-chloroethyl)-n'-(2-hydroxyethyl)-n-nitrosourea
  • n-hydroxyethyl-n-chloroethyl-nitrosourea
  • urea, 1-(2-chloroethyl)-3-(2-hydroxyethyl)-1-nitroso-
  • urea, n-(2-chloroethyl)-n'-(2-hydroxyethyl)-n-nitroso-
CAS Number(s)
  • 60784-46-5
InChIKey YJZJEQBSODVMTH-UHFFFAOYSA-N
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Elements H C N O Cl