3-{[2-Chloro-4-(4,6-Diamino-2,2-Dimethyl-1,3,5-Triazin-1(2H)-Yl)Phenoxy]Methyl}-N,N-Dimethylbenzamide

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Properties Simple | Detailed

Formula C21H25ClN6O2
IUPAC Name 3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]-n,n-dimethyl-benzamide
Molecular Mass 428.915 g·mol−1
Heat of Formation -75.0 ± 16.7 kJ·mol−1
Dipole Moment 5.39 ± 1.08 D
Volume 498.82 Å 3
Surface Area 406.86 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • (3-{[4-(4,6-diamino-2,2-dimethyl(1,3,5-triazinyl))-2-chlorophenoxy]methyl}phenyl)-n,n-dimethylcarboxamide
  • .alpha.-(2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1(2h)-yl)-phenoxy)-n,n-dimethyl-m-toluamide
  • 3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]-n,n-dimethyl-benzamide
  • 3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]-n,n-dimethylbenzamide
  • 3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1-yl)phenoxy]methyl]-n,n-dimethyl-benzamide
  • neuro_000073
InChIKey WJHBDAIAIDOONY-UHFFFAOYSA-N
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