2-Methyl-2-propanyl 3-(cyanomethyl)-5-methoxy-1H-indole-1-carboxylate
[CAS# 896101-79-4]

Identification

• Name: 2-Methyl-2-propanyl 3-(cyanomethyl)-5-methoxy-1H-indole-1-carboxylate
• Synonyms: 1H-INDOLE-1-CARBOXYLICACID, 3-(CYANOMETHYL)-5-METHOXY-, 1,1-DIMETHYLETHYL ESTER; MFCD09038159; tert-Butyl 3-(cyanomethyl)-5-methoxy-1H-indole-1-carboxylate
• Molecular Formula: C₁₆H₁₈N₂O₃
• Molecular Weight: 286.33
• CAS Registry Number: 896101-79-4
• SMILES: O=C(OC(C)(C)C)n2c1ccc(OC)cc1c(c2)CC#N
• InChI: 1S/C16H18N2O3/c1-16(2,3)21-15(19)18-10-11(7-8-17)13-9-12(20-4)5-6-14(13)18/h5-6,9-10H,7H2,1-4H3
• InChIKey: HKWNAOBNNGDQAS-UHFFFAOYSA-N

Properties

• Density: 1.132g/cm³ (Cal.)
• Boiling point: 444.872°C at 760 mmHg (Cal.)
• Flash point: 222.851°C (Cal.)
• Refractive index: 1.549 (Cal.)