1-[5-Ethyl-2-Hydroxy-4-[[6-Methyl-6-(2H-Tetrazol-5-Yl)Heptyl]Oxy]Phenyl]-Ethanone
[CAS# 117690-79-6]

Identification

• Name: 1-[5-Ethyl-2-Hydroxy-4-[[6-Methyl-6-(2H-Tetrazol-5-Yl)Heptyl]Oxy]Phenyl]-Ethanone
• Synonyms: 1-[5-Ethyl-2-Hydroxy-4-[6-Methyl-6-(2H-1,2,3,4-Tetrazol-5-Yl)Heptoxy]Phenyl]Ethanone; Ly-255283; Ncgc00092338-01
• Molecular Formula: C₁₉H₂₈N₄O₃
• Molecular Weight: 360.46
• CAS Registry Number: 117690-79-6
• SMILES: C2=C(OCCCCCC(C)(C)C1=N[NH]N=N1)C(=CC(=C2O)C(=O)C)CC
• InChI: 1S/C19H28N4O3/c1-5-14-11-15(13(2)24)16(25)12-17(14)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12,25H,5-10H2,1-4H3,(H,20,21,22,23)
• InChIKey: WCGXJPFHTHQNJL-UHFFFAOYSA-N

Properties

• Density: 1.158g/cm³ (Cal.)
• Boiling point: 573.425°C at 760 mmHg (Cal.)
• Flash point: 300.597°C (Cal.)
• solubility: Soluble to 100 mM in DMSO and to 25 mM in ethanol