4-[Butyl-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]Amino]Pyrimidine-5-Carboxylic Acid
[CAS# 141872-46-0]

Identification

• Name: 4-[Butyl-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]Amino]Pyrimidine-5-Carboxylic Acid
• Synonyms: 4-[Butyl-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]Amino]-5-Pyrimidinecarboxylic 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
• Molecular Formula: C₂₃H₂₃N₇O₂
• Molecular Weight: 429.48
• CAS Registry Number: 141872-46-0
• SMILES: C3=C(C2=C(C1=N[NH]N=N1)C=CC=C2)C=CC(=C3)CN(C4=C(C(=O)O)C=NC=N4)CCCC
• InChI: 1S/C23H23N7O2/c1-2-3-12-30(22-20(23(31)32)13-24-15-25-22)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-11,13,15H,2-3,12,14H2,1H3,(H,31,32)(H,26,27,28,29)
• InChIKey: AHZXSVWCNDLJER-UHFFFAOYSA-N

Properties

• Density: 1.321g/cm³ (Cal.)
• Boiling point: 707.329°C at 760 mmHg (Cal.)
• Flash point: 381.579°C (Cal.)