1-(2-Cyanoethyl)Urea

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Properties Simple | Detailed

Formula C4H7N3O
IUPAC Name 2-cyanoethylurea
Molecular Mass 113.118 g·mol−1
Heat of Formation -108.9 ± 16.7 kJ·mol−1
Dipole Moment 2.08 ± 1.08 D
Volume 143.38 Å 3
Surface Area 152.47 Å 2
HOMO Energy -10.28 ± 0.55 eV
LUMO Energy 3.90 ± eV
Point Group Symmetry C1
Synonyms
  • (2-cyanoethyl)urea
  • 2-cyanethylcarbamide
  • ba 1-4
  • ba1-4
  • urea, (2-cyanoethyl)-
CAS Number(s)
  • 6640-70-6
InChIKey KXLLKSHFFVQKTQ-UHFFFAOYSA-N
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