Metaphit

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Properties Simple | Detailed

Formula C18H24N2S
IUPAC Name 1-[1-(3-isothiocyanatophenyl)cyclohexyl]piperidine
Molecular Mass 300.462 g·mol−1
Heat of Formation 165.6 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 372.7 Å 3
Surface Area 315.32 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(1-(3-isothiocyanatophenyl)cyclohexyl)piperidine
  • piperidine, 1-(1-(3-isothiocyanatophenyl)cyclohexyl)-
  • tocris-0568
CAS Number(s)
  • 96316-00-6
InChIKey FGSGBQAQSPSRJK-UHFFFAOYSA-N
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Elements H S C N