4-(Butyl{[2'-(1H-Tetrazol-5-Yl)Biphenyl-4-Yl]Methyl}Amino)Pyrimidine-5-Carboxylic Acid

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Properties Simple | Detailed

Formula C23H23N7O2
IUPAC Name 4-[butyl-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid
Molecular Mass 429.474 g·mol−1
Heat of Formation 227.0 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 508.84 Å 3
Surface Area 397.89 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(n-n-butyl-n-((2'-(1h-tetrazol-5-yl)biphenyl-4-yl)methyl)amino)pyrimidine-5-carboxylic acid
  • 4-[butyl-[4-[2-(2h-tetrazol-5-yl)phenyl]benzyl]amino]pyrimidine-5-carboxylic acid
  • 4-[butyl-[[4-[2-(2h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid
  • 4-[butyl-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-5-pyrimidinecarboxylic acid
  • 5-pyrimidinecarboxylic acid, 4-(butyl((2'-(1h-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)amino)-
  • a-81282
  • abbott-81282
  • oprea1_016094
CAS Number(s)
  • 141872-46-0
InChIKey AHZXSVWCNDLJER-UHFFFAOYSA-N
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