4-{[(2,4-Diamino-6-Pteridinyl)Methyl](Methyl)Amino}Benzoic Acid

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Properties Simple | Detailed

Formula C15H15N7O2
IUPAC Name 4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoic acid
Molecular Mass 325.325 g·mol−1
Heat of Formation 33.8 ± 16.7 kJ·mol−1
Dipole Moment 0.97 ± 1.08 D
Volume 367.32 Å 3
Surface Area 312.69 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-apa
  • 2,4-diamino-n(10)-methylpteroic acid
  • 4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoic acid
  • 4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]benzoic acid
  • 4-amino-4-deoxy-n-10-methylpteroic acid
  • 4-deoxy-4-amino-n(10)-methylpteroic acid
  • benzoic acid, 4-[(2,4-diamino-6-pteridinylmethyl)methylamino]-
  • benzoic acid, p-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]-
  • dc326
  • deoxyaminopteroic acid
  • n-10-methyl-4-deoxy-4-aminopteroate
  • sd-096947
CAS Number(s)
  • 19741-14-1
InChIKey LWCXZSDKANNOAR-UHFFFAOYSA-N
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