1-{(E)-[(5-Nitro-2-Furyl)Methylene]Amino}Tetrahydro-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C9H10N4O4
IUPAC Name 1-[(e)-(5-nitro-2-furyl)methyleneamino]hexahydropyrimidin-2-one
Molecular Mass 238.200 g·mol−1
Heat of Formation -51.3 ± 16.7 kJ·mol−1
Dipole Moment 7.87 ± 1.08 D
Volume 255.65 Å 3
Surface Area 251.19 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • 1-((5-nitrofuranyl-2)methyleneamino)tetrahydropyrimidone-2-one
  • 1-[(5-nitro-2-furyl)methyleneamino]-2-hexahydropyrimidinone
  • 1-[(5-nitro-2-furyl)methyleneamino]hexahydropyrimidin-2-one
  • 1-[(5-nitrofuran-2-yl)methylideneamino]-1,3-diazinan-2-one
  • 2(1h)-pyrimidinone, tetrahydro-1-(((5-nitro-2-furanyl)methylene)amino)-
  • 2(1h)-pyrimidinone, tetrahydro-1-((5-nitrofurfurylidene)amino)-
  • furapyrimidone
  • tetrahydro-1-(5-nitrofurfurylideneamino)-2-pyrimidone
CAS Number(s)
  • 75888-03-8
InChIKey NITMRIAAAKECLS-IZZDOVSWSA-N
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