2-(Propyl{[2'-(2H-Tetrazol-5-Yl)-4-Biphenylyl]Methyl}Amino)Nicotinic Acid

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Properties Simple | Detailed

Formula C23H22N6O2
IUPAC Name 2-[propyl-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
Molecular Mass 414.460 g·mol−1
Heat of Formation 253.9 ± 16.7 kJ·mol−1
Dipole Moment 1.81 ± 1.08 D
Volume 493.57 Å 3
Surface Area 394.37 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(n-propyl-n-((2'-(1h-tetrazol-5-yl)biphenyl-4-yl)methyl)amino)pyridine-3-carboxylic acid
  • 2-[propyl-[4-[2-(2h-tetrazol-5-yl)phenyl]benzyl]amino]nicotinic acid
  • 2-[propyl-[[4-[2-(2h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
  • 2-[propyl-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinecarboxylic acid
  • 3-pyridinecarboxylic acid, 2-(propyl((2'-(1h-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)amino)-
  • a 81988
  • a-81988
  • abbott-81988
  • oprea1_714523
CAS Number(s)
  • 141887-34-5
InChIKey DLMNZGAILMQDHA-UHFFFAOYSA-N
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