Methyl 1-(cyanomethyl)-5-methyl-1H-indole-2-carboxylate
[CAS# 796069-31-3]

Identification

• Name: Methyl 1-(cyanomethyl)-5-methyl-1H-indole-2-carboxylate
• Synonyms: methyl 1-(cyanomethyl)-5-methyl-1H-indole-2-carboxylate
• Molecular Formula: C₁₃H₁₂N₂O₂
• Molecular Weight: 228.25
• CAS Registry Number: 796069-31-3
• SMILES: Cc1ccc2c(c1)cc(n2CC#N)C(=O)OC
• InChI: 1S/C13H12N2O2/c1-9-3-4-11-10(7-9)8-12(13(16)17-2)15(11)6-5-14/h3-4,7-8H,6H2,1-2H3
• InChIKey: LSOPCPOHETXYQQ-UHFFFAOYSA-N

Properties

• Density: 1.174g/cm³ (Cal.)
• Boiling point: 416.154°C at 760 mmHg (Cal.)
• Flash point: 205.483°C (Cal.)
• Refractive index: 1.584 (Cal.)