2-[6-(Benzyloxy)-1H-indol-3-yl]-2-methylpropanenitrile
[CAS# 629662-39-1]

Identification

• Name: 2-[6-(Benzyloxy)-1H-indol-3-yl]-2-methylpropanenitrile
• Synonyms: 1H-Indole-3-acetonitrile, a,a-dimethyl-6-(phenylmethoxy)-; 1H-Indole-3-acetonitrile,a,a-dimethyl-6-(phenylmethoxy)-
• Molecular Formula: C₁₉H₁₈N₂O
• Molecular Weight: 290.36
• CAS Registry Number: 629662-39-1
• SMILES: CC(C)(C#N)c1c[nH]c2c1ccc(c2)OCc3ccccc3
• InChI: 1S/C19H18N2O/c1-19(2,13-20)17-11-21-18-10-15(8-9-16(17)18)22-12-14-6-4-3-5-7-14/h3-11,21H,12H2,1-2H3
• InChIKey: VFZLVLXVWIRQAY-UHFFFAOYSA-N

Properties

• Density: 1.177g/cm³ (Cal.)
• Boiling point: 502.474°C at 760 mmHg (Cal.)
• Flash point: 257.687°C (Cal.)
• Refractive index: 1.632 (Cal.)