2-[[2-[Butyl-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]Amino]-2-Oxoethyl]-(Phenylmethyl)Amino]Acetic Acid
[CAS# 166592-21-8]

Identification

• Name: 2-[[2-[Butyl-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]Amino]-2-Oxoethyl]-(Phenylmethyl)Amino]Acetic Acid
• Synonyms: 2-[[2-[Butyl-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]Amino]-2-Oxo-Ethyl]-(Phenylmethyl)Amino]Acetic Acid; 2-[Benzyl-[2-[Butyl-[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Benzyl]Amino]-2-Keto-Ethyl]Amino]Acetic Acid; 2-[[2-[Butyl-[[4-[2-(2H-1,2,3,4-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]Amino]-2-Oxo-Ethyl]-(Phenylmethyl)Amino]Ethanoic Acid
• Molecular Formula: C₂₉H₃₂N₆O₃
• Molecular Weight: 512.61
• CAS Registry Number: 166592-21-8
• SMILES: C2=C(CN(CCCC)C(=O)CN(CC1=CC=CC=C1)CC(O)=O)C=CC(=C2)C3=CC=CC=C3C4=N[NH]N=N4
• InChI: 1S/C29H32N6O3/c1-2-3-17-35(27(36)20-34(21-28(37)38)18-22-9-5-4-6-10-22)19-23-13-15-24(16-14-23)25-11-7-8-12-26(25)29-30-32-33-31-29/h4-16H,2-3,17-21H2,1H3,(H,37,38)(H,30,31,32,33)
• InChIKey: JBQDMYZGSBABOI-UHFFFAOYSA-N

Properties

• Density: 1.251g/cm³ (Cal.)
• Boiling point: 749.696°C at 760 mmHg (Cal.)
• Flash point: 407.202°C (Cal.)