1-(2-Chloroethyl)-1-Nitroso-3-(2-Pyridinylmethyl)Urea

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Formula C9H11ClN4O2
IUPAC Name 1-(2-chloroethyl)-1-nitroso-3-(2-pyridylmethyl)urea
Molecular Mass 242.662 g·mol−1
Heat of Formation -60.1 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 273.0 Å 3
Surface Area 260.9 Å 2
HOMO Energy -10.18 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-chloroethyl)-1-nitroso-3-(methylene-2-pyridinyl)urea
  • 1-(2-chloroethyl)-1-nitroso-3-(pyridin-2-ylmethyl)urea
  • cnmpu
  • urea, n-(2-chloroethyl)-n-nitroso-n'-(2-pyridinylmethyl)-
CAS Number(s)
  • 42471-25-0
InChIKey KDBBPXBHAODNBX-UHFFFAOYSA-N
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Elements H C N O Cl