3-{[(1R,2S)-2-Phenylcyclopropyl]Amino}Propanenitrile

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Properties Simple | Detailed

Formula C12H14N2
IUPAC Name 3-[[(1r,2s)-2-phenylcyclopropyl]amino]propanenitrile
Molecular Mass 186.253 g·mol−1
Heat of Formation 293.8 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 252.57 Å 3
Surface Area 243.51 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[(1r,2s)-2-phenylcyclopropyl]amino]propanenitrile
  • 3-[[(1r,2s)-2-phenylcyclopropyl]amino]propionitrile
  • ce-tcp
  • n-(2-cyanoethyltranyl)cypromine
  • n-2-cyanoethyltranylcypromine
  • propanenitrile, 3-((2-phenylcyclopropyl)amino)-, trans-(+-)-
CAS Number(s)
  • 95596-55-7
InChIKey PADWKJMGNSNONV-NWDGAFQWSA-N
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Elements H C N