(4-{[(2,4-Diamino-6-Pteridinyl)Methyl]Amino}Phenyl)(Oxo)Acetaldehyde

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Properties Simple | Detailed

Formula C15H13N7O2
IUPAC Name 2-[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]-2-oxo-acetaldehyde
Molecular Mass 323.309 g·mol−1
Heat of Formation 183.6 ± 16.7 kJ·mol−1
Dipole Moment 5.54 ± 1.08 D
Volume 356.02 Å 3
Surface Area 336.32 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-dap-glyoxal
  • 2,4-diaminopteridine glyoxal
  • 2,4-diaminopteridinylglyoxal
  • 2-[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-2-oxoacetaldehyde
  • 2-[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]-2-keto-acetaldehyde
  • 2-[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]-2-oxo-ethanal
  • 2-[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]-2-oxoacetaldehyde
  • benzeneacetaldehyde, 4-(((2,4-diamino-6-pteridinyl)methyl)amino)-alpha-oxo-
CAS Number(s)
  • 95480-21-0
InChIKey HERAZFNVEIYQTD-UHFFFAOYSA-N
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