1-Isocyanopropane

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Properties Simple | Detailed

Formula C4H7N
IUPAC Name 1-isocyanopropane
Molecular Mass 69.105 g·mol−1
Heat of Formation 116.8 ± 16.7 kJ·mol−1
Dipole Moment 2.86 ± 1.08 D
Volume 109.88 Å 3
Surface Area 123.7 Å 2
HOMO Energy -11.29 ± 0.55 eV
LUMO Energy 5.50 ± eV
Point Group Symmetry C1
Synonyms
  • n-propyl isocyanide
  • npn
  • propane, 1-isocyano-
  • propyl isocyanide
CAS Number(s)
  • 627-36-1
InChIKey FFDKYFGBIQQMSR-UHFFFAOYSA-N
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Elements H C N