Irgarol

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Properties Simple | Detailed

Formula C11H19N5S
IUPAC Name n2-tert-butyl-n4-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
Molecular Mass 253.367 g·mol−1
Heat of Formation 153.5 ± 16.7 kJ·mol−1
Dipole Moment 3.84 ± 1.08 D
Volume 321.83 Å 3
Surface Area 295.18 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(tert-butylamino)-4-(cyclopropylamino)-6-(methylthio)-s-triazine
  • 2-methylthio-4-tert-butylamino-6-cyclopropylamino-s-triazine
  • [4-(tert-butylamino)-6-(methylthio)-s-triazin-2-yl]-cyclopropyl-amine
  • irgarol 1051
  • n'-tert-butyl-n-cyclopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine
  • n-tert-butyl-n'-cyclopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine
  • n-tert-butyl-n'-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CAS Number(s)
  • 28159-98-0
InChIKey HDHLIWCXDDZUFH-UHFFFAOYSA-N
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