Trimethylene Urea

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Properties Simple | Detailed

Formula C4H8N2O
IUPAC Name hexahydropyrimidin-2-one
Molecular Mass 100.119 g·mol−1
Heat of Formation -196.0 ± 16.7 kJ·mol−1
Dipole Moment 5.32 ± 1.08 D
Volume 121.36 Å 3
Surface Area 131.05 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 4.64 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3-diazinan-2-one
  • 2(1h)-pyrimidinone, tetrahydro-
  • 2-(1h)-tetrahydropyrimidinone
  • 2-hexahydropyrimidinone
  • 2-ketohexahydropyrimidine
  • 2-pyrimidinol, 3,4,5,6-tetrahydro-
  • hexahydro-2(1h)-pyrimidinone
  • n,n'-trimethyleneurea
  • perhydropyrimidin-2-one
  • propyleneurea
  • propyleneurea (van)
  • pyrimidine, hexahydro-2-oxo-
  • tetrahydro-2(1h)-pyrimidinone
  • tetrahydro-2-pyrimidone
  • tetrahydropyrimidin-2(1h)-one
  • urea, 1,3-trimethylene-
  • urea, n,n'-(1,3-propanediyl)-
CAS Number(s)
  • 1852-17-1
  • 2122-15-8
InChIKey NQPJDJVGBDHCAD-UHFFFAOYSA-N
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