2-Methyl-2-propanyl 3-(2-cyano-2-propanyl)-5-methoxy-1H-indole-1-carboxylate
[CAS# 907602-77-1]

Identification

• Name: 2-Methyl-2-propanyl 3-(2-cyano-2-propanyl)-5-methoxy-1H-indole-1-carboxylate
• Synonyms: 1H-Indole-1-carboxylic acid, 3-(1-cyano-1-methylethyl)-5-methoxy-, 1,1-dimethylethyl ester; 1H-Indole-1-carboxylic acid,3-(1-cyano-1-methylethyl)-5-methoxy-,1-(1,1-dimethylethyl)ester; MFCD11616214
• Molecular Formula: C₁₈H₂₂N₂O₃
• Molecular Weight: 314.38
• CAS Registry Number: 907602-77-1
• SMILES: CC(C)(C)OC(=O)n1cc(c2c1ccc(c2)OC)C(C)(C)C#N
• InChI: 1S/C18H22N2O3/c1-17(2,3)23-16(21)20-10-14(18(4,5)11-19)13-9-12(22-6)7-8-15(13)20/h7-10H,1-6H3
• InChIKey: YIESVYJWQYZJPD-UHFFFAOYSA-N

Properties

• Density: 1.089g/cm³ (Cal.)
• Boiling point: 455.114°C at 760 mmHg (Cal.)
• Flash point: 229.045°C (Cal.)
• Refractive index: 1.534 (Cal.)