8-(2-Chloro-3,4,5-Trimethoxybenzyl)-2-Fluoro-9-(4-Pentyn-1-Yl)-9H-Purin-6-Amine

Molecule SVG Image

Properties Simple | Detailed

Formula C20H21ClFN5O3
IUPAC Name 8-[(2-chloro-3,4,5-trimethoxy-phenyl)methyl]-2-fluoro-9-pent-4-ynyl-purin-9-ium-6-amine
Molecular Mass 433.864 g·mol−1
Heat of Formation -157.3 ± 16.7 kJ·mol−1
Dipole Moment 6.15 ± 1.08 D
Volume 488.91 Å 3
Surface Area 393.74 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
Synonyms
  • 8-(2-chloro-3,4,5-trimethoxy-benzyl)-2-fluoro-9-pent-4-ylnyl-9h-purin-6-ylamine
  • 8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-(pent-4-ynyl)-9h-purin-6-amine
  • 8-[(2-chloro-3,4,5-trimethoxy-phenyl)methyl]-2-fluoro-9-pent-4-ynyl-purin-6-amine
  • 8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-2-fluoro-9-pent-4-ynyl-6-purinamine
  • [8-(2-chloro-3,4,5-trimethoxy-benzyl)-2-fluoro-9-pent-4-ynyl-purin-6-yl]amine
  • pu1
InChIKey KCIOVTSUEXGUFJ-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H Cl O N