1-Isocyanato-2,2-Dimethylpropane

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Properties Simple | Detailed

Formula C6H11NO
IUPAC Name 2,2-dimethylpropyl(oxomethyl)azanide
Molecular Mass 113.158 g·mol−1
Heat of Formation -202.7 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 160.75 Å 3
Surface Area 158.66 Å 2
HOMO Energy -10.18 ± 0.55 eV
LUMO Energy 3.61 ± eV
Point Group Symmetry C1
Synonyms
  • 1-isocyanato-2,2-dimethyl-propane
  • 2,2-dimethylpropyl isocyanate
CAS Number(s)
  • 15592-29-7
InChIKey USXSCBCCYNVIPN-UHFFFAOYSA-N
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