3-[(2,4-Dichloro-6-Methylbenzyl)Amino]-4-[(2-Methyl-2-Butanyl)Amino]-3-Cyclobutene-1,2-Dione

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Properties Simple | Detailed

Formula C17H20Cl2N2O2
IUPAC Name 3-[(2,4-dichloro-6-methyl-phenyl)methylamino]-4-(1,1-dimethylpropylamino)cyclobut-3-ene-1,2-dione
Molecular Mass 355.259 g·mol−1
Heat of Formation -187.6 ± 16.7 kJ·mol−1
Dipole Moment 6.71 ± 1.08 D
Volume 407.91 Å 3
Surface Area 332.95 Å 2
HOMO Energy -7.82 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(tert-amylamino)-4-[(2,4-dichloro-6-methyl-benzyl)amino]cyclobut-3-ene-1,2-quinone
  • 3-[(2,4-dichloro-6-methyl-phenyl)methylamino]-4-(2-methylbutan-2-ylamino)cyclobut-3-ene-1,2-dione
  • 3-[(2,4-dichloro-6-methylphenyl)methylamino]-4-(1,1-dimethylpropylamino)cyclobut-3-ene-1,2-dione
  • 3-[(2,4-dichloro-6-methylphenyl)methylamino]-4-(2-methylbutan-2-ylamino)cyclobut-3-ene-1,2-dione
  • 3-cyclobutene-1,2-dione, 3-(((2,4-dichloro-6-methylphenyl)methyl)amino)-4-((1,1-dimethylpropyl)amino)-
  • kco-616
  • way-151616
CAS Number(s)
  • 202520-55-6
InChIKey GSAHJOWJMPIJOB-UHFFFAOYSA-N
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