4-{[2-(2-Amino-4-Oxo-1,4-Dihydro-6-Pteridinyl)Ethyl]Amino}Benzoic Acid

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Properties Simple | Detailed

Formula C15H14N6O3
IUPAC Name 4-[2-(2-amino-4-oxo-1h-pteridin-6-yl)ethylamino]benzoic acid
Molecular Mass 326.310 g·mol−1
Heat of Formation -166.5 ± 16.7 kJ·mol−1
Dipole Moment 10.49 ± 1.08 D
Volume 363.68 Å 3
Surface Area 334.9 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
Synonyms
  • 4-((2-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)ethyl)amino)benzoic acid
  • 4-[2-(2-amino-4-keto-1h-pteridin-6-yl)ethylamino]benzoic acid
  • 4-[2-(2-amino-4-oxo-1h-pteridin-6-yl)ethylamino]benzoic acid
  • homopteroic acid
CAS Number(s)
  • 4833-56-1
InChIKey DTDQDDMTACYSOK-UHFFFAOYSA-N
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