Ethyl 8-[benzyl(methyl)amino]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
[CAS# 629662-64-2]

Identification

• Name: Ethyl 8-[benzyl(methyl)amino]-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-8-[methyl(phenylmethyl)amino]-, ethyl ester; Azepino[4,5-b]indole-5-carboxylic acid,1,2,3,6-tetrahydro-1,1-dimethyl-8-[methyl(phenylmethyl)amino]-,ethyl ester
• Molecular Formula: C₂₅H₂₉N₃O₂
• Molecular Weight: 403.52
• CAS Registry Number: 629662-64-2
• SMILES: O=C(OCC)C\4=C\NCC(c3c2ccc(N(Cc1ccccc1)C)cc2nc3/4)(C)C
• InChI: 1S/C25H29N3O2/c1-5-30-24(29)20-14-26-16-25(2,3)22-19-12-11-18(13-21(19)27-23(20)22)28(4)15-17-9-7-6-8-10-17/h6-14,26-27H,5,15-16H2,1-4H3
• InChIKey: QDGXBNHWEZFYCT-UHFFFAOYSA-N

Properties

• Density: 1.17g/cm³ (Cal.)
• Boiling point: 620.72°C at 760 mmHg (Cal.)
• Flash point: 329.2°C (Cal.)
• Refractive index: 1.625 (Cal.)