N-(2-Aminoethyl)-2-[4-(2,6-Dioxo-1,3-Dipropyl-2,3,6,7-Tetrahydro-1H-Purin-8-Yl)Phenoxy]Acetamide

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Properties Simple | Detailed

Formula C21H28N6O4
IUPAC Name n-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7h-purin-8-yl)phenoxy]acetamide
Molecular Mass 428.485 g·mol−1
Heat of Formation -503.5 ± 16.7 kJ·mol−1
Dipole Moment 5.90 ± 1.08 D
Volume 513.36 Å 3
Surface Area 467.29 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • 3,7-diethyl-9-(4-(n-2-aminoethylcarboxamidomethoxy))phenylxanthine
  • 8-(4-(((2-(4-aminophenylacetylamino)ethyl)carbonyl)methyl)oxy)phenyl-1,3-dipropylxanthine
  • 8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine
  • acetamide, n-(2-aminoethyl)-2-(4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1h-purin-8-yl)phenoxy)-
  • n-(2-aminoethyl)-2-[4-(2,6-diketo-1,3-dipropyl-7h-purin-8-yl)phenoxy]acetamide
  • n-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7h-purin-8-yl)phenoxy]acetamide
  • n-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7h-purin-8-yl)phenoxy]ethanamide
  • papaxac
  • pdsp1_000319
  • pdsp1_000445
  • pdsp2_000317
  • pdsp2_000443
  • xac
  • xanthine amine congener
  • xanthine amine congener xac
  • xanthine, 8-[4-[(2-aminoethyl)aminocarbonyl]methoxyphenyl]-1,3-dipropyl
CAS Number(s)
  • 96865-92-8
InChIKey FIQGIOAELHTLHM-UHFFFAOYSA-N
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