1-(2-Chloroethyl)-3-(2-Pyrazinylmethyl)Urea

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Properties Simple | Detailed

Formula C8H11ClN4O
IUPAC Name 1-(2-chloroethyl)-3-(pyrazin-2-ylmethyl)urea
Molecular Mass 214.652 g·mol−1
Heat of Formation -69.7 ± 16.7 kJ·mol−1
Dipole Moment 1.50 ± 1.08 D
Volume 242.13 Å 3
Surface Area 237.39 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2-chloroethyl)-1-(2-pyrazinylmethyl)urea
  • 3-(2-chloroethyl)-1-(pyrazin-2-ylmethyl)urea
  • cepmu
  • urea, n-(2-chloroethyl)-n'-(pyrazinylmethyl)-, (s)-
CAS Number(s)
  • 91621-13-5
InChIKey MFQNCQCDOXWEAQ-UHFFFAOYSA-N
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Elements H C N O Cl