Isopropyl 1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
[CAS# 942145-77-9]

Identification

• Name: Isopropyl 1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
• Synonyms: Azepino[4,5-b]indole-5-carboxylic acid, 1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester; Azepino[4,5-b]indole-5-carboxylic acid,1,2,3,6-tetrahydro-1,1-dimethyl-,1-methylethyl ester
• Molecular Formula: C₁₈H₂₂N₂O₂
• Molecular Weight: 298.38
• CAS Registry Number: 942145-77-9
• SMILES: CC(C)OC(=O)C1=CNCC(c2c1[nH]c3c2cccc3)(C)C
• InChI: 1S/C18H22N2O2/c1-11(2)22-17(21)13-9-19-10-18(3,4)15-12-7-5-6-8-14(12)20-16(13)15/h5-9,11,19-20H,10H2,1-4H3
• InChIKey: LWOPKUFMTHTYQL-UHFFFAOYSA-N

Properties

• Density: 1.134g/cm³ (Cal.)
• Boiling point: 492.252°C at 760 mmHg (Cal.)
• Flash point: 251.505°C (Cal.)
• Refractive index: 1.581 (Cal.)