5-Isocyanato-2-Methylaniline

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Properties Simple | Detailed

Formula C8H8N2O
IUPAC Name 5-isocyanato-2-methyl-aniline
Molecular Mass 148.162 g·mol−1
Heat of Formation -23.5 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 180.65 Å 3
Surface Area 184.38 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 2.70 ± eV
Point Group Symmetry C1
Synonyms
  • (5-isocyanato-2-methyl-phenyl)amine
  • 4-tia
  • 5-isocyanato-2-methylbenzenamine
  • benzenamine, 5-isocyanato-2-methyl-
  • toluene-4-isocyanate-2-amine
CAS Number(s)
  • 99626-88-7
InChIKey UJNYDGTYHOSISO-UHFFFAOYSA-N
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