8-(5-Methyl-3-Oxahexyloxy)-3-(1H-Tetrazol-5-Yl)Coumarin
[CAS# 80916-85-4]

Identification

• Name: 8-(5-Methyl-3-Oxahexyloxy)-3-(1H-Tetrazol-5-Yl)Coumarin
• Synonyms: 8-(2-Isobutoxyethoxy)-3-(2H-Tetrazol-5-Yl)Chromen-2-One; 8-(2-Isobutoxyethoxy)-3-(2H-Tetrazol-5-Yl)-2-Chromenone; 8-(2-Isobutoxyethoxy)-3-(2H-Tetrazol-5-Yl)Coumarin
• Molecular Formula: C₁₆H₁₈N₄O₄
• Molecular Weight: 330.34
• CAS Registry Number: 80916-85-4
• SMILES: C1=C2C(=C(OCCOCC(C)C)C=C1)OC(=O)C(=C2)C3=N[NH]N=N3
• InChI: 1S/C16H18N4O4/c1-10(2)9-22-6-7-23-13-5-3-4-11-8-12(15-17-19-20-18-15)16(21)24-14(11)13/h3-5,8,10H,6-7,9H2,1-2H3,(H,17,18,19,20)
• InChIKey: IKRFXOLDWNDWIQ-UHFFFAOYSA-N

Properties

• Density: 1.319g/cm³ (Cal.)
• Boiling point: 570.788°C at 760 mmHg (Cal.)
• Flash point: 299.002°C (Cal.)