2-Tert-Butyl-1-Cyano-3-Pyridin-3-Ylguanidine

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Properties Simple | Detailed

Formula C11H15N5
IUPAC Name 2-tert-butyl-1-cyano-3-(3-pyridyl)guanidine
Molecular Mass 217.270 g·mol−1
Heat of Formation 308.1 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 282.79 Å 3
Surface Area 258.78 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 2.64 ± eV
Point Group Symmetry C1
Synonyms
  • 1-tert-butyl-2-cyano-3-(3-pyridyl)guanidine
  • 2-tert-butyl-3-cyano-1-(3-pyridyl)guanidine
  • 2-tert-butyl-3-cyano-1-pyridin-3-yl-guanidine
  • 2-tert-butyl-3-cyano-1-pyridin-3-ylguanidine
  • guanidine, 1-tert-butyl-2-cyano-3-(3-pyridyl)-
  • guanidine, n-cyano-n'-(1,1-dimethylethyl)-n''-3-pyridinyl-
  • p 1060
CAS Number(s)
  • 60559-94-6
InChIKey TXXOFXVEUPZZHB-UHFFFAOYSA-N
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Elements H C N