Ethyl 8-(3-methoxyphenyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
[CAS# 629662-81-3]

Identification

• Name: Ethyl 8-(3-methoxyphenyl)-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-8-(3-methoxyphenyl)-1,1-dimethyl-, ethyl ester; Azepino[4,5-b]indole-5-carboxylic acid,1,2,3,6-tetrahydro-8-(3-methoxyphenyl)-1,1-dimethyl-,ethyl ester
• Molecular Formula: C₂₄H₂₆N₂O₃
• Molecular Weight: 390.47
• CAS Registry Number: 629662-81-3
• SMILES: CCOC(=O)C1=CNCC(c2c1[nH]c3c2ccc(c3)c4cccc(c4)OC)(C)C
• InChI: 1S/C24H26N2O3/c1-5-29-23(27)19-13-25-14-24(2,3)21-18-10-9-16(12-20(18)26-22(19)21)15-7-6-8-17(11-15)28-4/h6-13,25-26H,5,14H2,1-4H3
• InChIKey: BUQCNBATADNWOM-UHFFFAOYSA-N

Properties

• Density: 1.164g/cm³ (Cal.)
• Boiling point: 608.265°C at 760 mmHg (Cal.)
• Flash point: 321.667°C (Cal.)
• Refractive index: 1.597 (Cal.)