2-(5-Methoxy-1H-indol-3-yl)-2-methylpropanenitrile
[CAS# 896101-81-8]

Identification

• Name: 2-(5-Methoxy-1H-indol-3-yl)-2-methylpropanenitrile
• Synonyms: 1H-Indole-3-acetonitrile, 5-methoxy-a,a-dimethyl-; 1H-Indole-3-acetonitrile,5-methoxy-a,a-dimethyl-
• Molecular Formula: C₁₃H₁₄N₂O
• Molecular Weight: 214.26
• CAS Registry Number: 896101-81-8
• SMILES: N#CC(c2c1cc(OC)ccc1nc2)(C)C
• InChI: 1S/C13H14N2O/c1-13(2,8-14)11-7-15-12-5-4-9(16-3)6-10(11)12/h4-7,15H,1-3H3
• InChIKey: ZHDVNWHEEPLIBL-UHFFFAOYSA-N

Properties

• Density: 1.152g/cm³ (Cal.)
• Boiling point: 405.108°C at 760 mmHg (Cal.)
• Flash point: 198.803°C (Cal.)
• Refractive index: 1.598 (Cal.)