1-Phenyl-1H-Pyrazolo[3,4-D]Pyrimidin-4-Amine

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Properties Simple | Detailed

Formula C11H9N5
IUPAC Name 1-phenylpyrazolo[3,4-d]pyrimidin-1-ium-2-id-4-amine
Molecular Mass 211.223 g·mol−1
Heat of Formation 447.2 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 238.74 Å 3
Surface Area 229.45 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • (1-phenylpyrazolo[4,5-e]pyrimidin-4-yl)amine
  • 1-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine
  • 1-phenyl-4-pyrazolo[4,5-e]pyrimidinamine
  • 1-phenylpyrazolo[4,5-e]pyrimidin-4-amine
  • 4-amino-1-phenyl-1h-pyrazolo[3,4-d]pyrimidine
  • 4-amino-1-phenylpyrazolo(3,4-e)pyrimidine
  • 4-amino-7-phenylpyrazol[3,4-d]pyrimidine
  • bas 00556750
  • hsci1_000188
  • oprea1_329529
  • oprea1_457349
CAS Number(s)
  • 5334-30-5
InChIKey KKDPIZPUTYIBFX-UHFFFAOYSA-N
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Elements H C N