Ethyl 9-(benzylamino)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
[CAS# 629663-32-7]

Identification

• Name: Ethyl 9-(benzylamino)-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-9-[(phenylmethyl)amino]-, ethyl ester; Azepino[4,5-b]indole-5-carboxylic acid,1,2,3,6-tetrahydro-1,1-dimethyl-9-[(phenylmethyl)amino]-,ethyl ester
• Molecular Formula: C₂₄H₂₇N₃O₂
• Molecular Weight: 389.49
• CAS Registry Number: 629663-32-7
• SMILES: CCOC(=O)C1=CNCC(c2c1[nH]c3c2cc(cc3)NCc4ccccc4)(C)C
• InChI: 1S/C24H27N3O2/c1-4-29-23(28)19-14-25-15-24(2,3)21-18-12-17(10-11-20(18)27-22(19)21)26-13-16-8-6-5-7-9-16/h5-12,14,25-27H,4,13,15H2,1-3H3
• InChIKey: SVKZYLNVMLKNOE-UHFFFAOYSA-N

Properties

• Density: 1.193g/cm³ (Cal.)
• Boiling point: 618.119°C at 760 mmHg (Cal.)
• Flash point: 327.627°C (Cal.)
• Refractive index: 1.637 (Cal.)