5-(Aminomethyl)-1-[4-Chloro-2-(2-Chlorobenzoyl)Phenyl]-N,N-Dimethyl-1H-1,2,4-Triazole-3-Carboxamide

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Formula C19H17Cl2N5O2
IUPAC Name 5-(aminomethyl)-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-n,n-dimethyl-4-aza-1-azonia-2-azanidacyclopenta-3,5-diene-3-carboxamide
Molecular Mass 418.277 g·mol−1
Heat of Formation 88.2 ± 16.7 kJ·mol−1
Dipole Moment 5.23 ± 1.08 D
Volume 458.79 Å 3
Surface Area 393.06 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
Synonyms
  • 191dg
  • 1h-1,2,4-triazole-3-carboxamide, 5-(aminomethyl)-1-(4-chloro-2-(2-chlorobenzoyl)phenyl)-n,n-dimethyl-
  • 5-(aminomethyl)-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-n,n-dimethyl-1,2,4-triazole-3-carboxamide
  • 5-(aminomethyl)-1-[4-chloro-2-(2-chlorophenyl)carbonyl-phenyl]-n,n-dimethyl-1,2,4-triazole-3-carboxamide
  • 5-(aminomethyl)-1-[4-chloro-2-[(2-chlorophenyl)-oxomethyl]phenyl]-n,n-dimethyl-1,2,4-triazole-3-carboxamide
  • dg 191
  • dg-191
CAS Number(s)
  • 102821-00-1
InChIKey QVXMGNRAXMICCR-UHFFFAOYSA-N
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Elements H C N O Cl