5H-Pyrrolo[3,2-D]Pyrimidin-4-Amine

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Properties Simple | Detailed

Formula C6H6N4
IUPAC Name pyrrolo[3,2-d]pyrimidin-5-ium-4a-ylium-4-amine
Molecular Mass 134.139 g·mol−1
Heat of Formation 254.6 ± 16.7 kJ·mol−1
Dipole Moment 6.11 ± 1.08 D
Volume 152.44 Å 3
Surface Area 157.41 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 2.57 ± eV
Point Group Symmetry C1
Synonyms
  • 5h-pyrrolo(3,2-d)pyrimidin-4-amine
  • 5h-pyrrolo[2,3-e]pyrimidin-4-amine
  • 5h-pyrrolo[2,3-e]pyrimidin-4-ylamine
  • 9-deazaadenine
  • 9da
CAS Number(s)
  • 2227-98-7
InChIKey YRVFQPBPZCRUDX-UHFFFAOYSA-N
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Elements H C N