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Formula C19H27N5O5++
IUPAC Name 6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethyl-pyrimidine-2,4-dione
Molecular Mass 405.448 g·mol−1
Heat of Formation -456.0 ± 16.7 kJ·mol−1
Dipole Moment 8.17 ± 1.08 D
Volume 488.95 Å 3
Surface Area 439.77 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -1.37 ± eV
Point Group Symmetry C1
Synonyms
  • 6-((2-((2-hydroxyethyl)(3-(4-nitrophenyl)propyl)amino)ethyl)amino)-1,3-dimethyl-2,4(1h,3h)-pyrimidinedione
  • 6-((2-((2-hydroxyethyl)(3-(p-nitrophenyl)propyl)amino)ethyl)amino)-1,3-dimethyl-uracil
  • 6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethyl-pyrimidine-2,4-quinone
  • 6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione
CAS Number(s)
  • 130636-43-0
InChIKey OEBPANQZQGQPHF-UHFFFAOYSA-N
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