2-(Aminomethyl)-4-Tert-Butyl-6-Iodophenyl Hydrogen Sulfate

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Properties Simple | Detailed

Formula C11H16INO4S
IUPAC Name [2-(aminomethyl)-4-tert-butyl-6-iodo-phenyl] hydrogen sulfate
Molecular Mass 385.219 g·mol−1
Heat of Formation -607.6 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 339.19 Å 3
Surface Area 293.47 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (o-sulfo)-mk-447
  • [2-(aminomethyl)-4-tert-butyl-6-iodophenyl] hydrogen sulfate
  • o-sulfo-mk 447
  • phenol, 2-(aminomethyl)-4-(1,1-dimethylethyl)-6-iodo-, hydrogen sulfate (ester)
CAS Number(s)
  • 65687-13-0
InChIKey IRDCWFAOPAYRKP-UHFFFAOYSA-N
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