1-Cyano-2-(2-Methylbutan-2-Yl)-3-Pyridin-3-Ylguanidine

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Properties Simple | Detailed

Formula C12H17N5
IUPAC Name 1-cyano-2-(1,1-dimethylpropyl)-3-(3-pyridyl)guanidine
Molecular Mass 231.297 g·mol−1
Heat of Formation 289.1 ± 16.7 kJ·mol−1
Dipole Moment 3.62 ± 1.08 D
Volume 303.53 Å 3
Surface Area 268.96 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • 2-cyano-1-tert-pentyl-3-(3-pyridyl)guanidine
  • 2-tert-amyl-3-cyano-1-(3-pyridyl)guanidine
  • 3-cyano-2-(1,1-dimethylpropyl)-1-(3-pyridyl)guanidine
  • 3-cyano-2-(2-methylbutan-2-yl)-1-pyridin-3-yl-guanidine
  • 3-cyano-2-(2-methylbutan-2-yl)-1-pyridin-3-ylguanidine
  • guanidine, 2-cyano-1-tert-pentyl-3-(3-pyridyl)-
  • guanidine, n-cyano-n'-(1,1-dimethylpropyl)-n''-3-pyridinyl-
  • p 1075
  • tocris-1355
CAS Number(s)
  • 60559-98-0
InChIKey HKZNADVVGXKQDL-UHFFFAOYSA-N
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Elements H C N