Ethyl 8-(dibenzylamino)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
[CAS# 629662-47-1]

Identification

• Name: Ethyl 8-(dibenzylamino)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
• Synonyms: Azepino[4,5-b]indole-5-carboxylic acid, 8-[bis(phenylmethyl)amino]-1,2,3,6-tetrahydro-1,1-dimethyl-, ethyl ester; Azepino[4,5-b]indole-5-carboxylic acid,8-[bis(phenylmethyl)amino]-1,2,3,6-tetrahydro-1,1-dimethyl-,ethyl ester
• Molecular Formula: C₃₁H₃₃N₃O₂
• Molecular Weight: 479.61
• CAS Registry Number: 629662-47-1
• SMILES: CCOC(=O)C1=CNCC(c2c1[nH]c3c2ccc(c3)N(Cc4ccccc4)Cc5ccccc5)(C)C
• InChI: 1S/C31H33N3O2/c1-4-36-30(35)26-18-32-21-31(2,3)28-25-16-15-24(17-27(25)33-29(26)28)34(19-22-11-7-5-8-12-22)20-23-13-9-6-10-14-23/h5-18,32-33H,4,19-21H2,1-3H3
• InChIKey: NIKIVKFAVQLZDE-UHFFFAOYSA-N

Properties

• Density: 1.182g/cm³ (Cal.)
• Boiling point: 701.15°C at 760 mmHg (Cal.)
• Flash point: 377.842°C (Cal.)
• Refractive index: 1.641 (Cal.)