Isopropyl 8-fluoro-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
[CAS# 942148-30-3]

Identification

• Name: Isopropyl 8-fluoro-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
• Synonyms: Azepino[4,5-b]indole-5-carboxylic acid, 8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester; Azepino[4,5-b]indole-5-carboxylic acid,8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-,1-methylethyl ester
• Molecular Formula: C₁₈H₂₁FN₂O₂
• Molecular Weight: 316.37
• CAS Registry Number: 942148-30-3
• SMILES: CC(C)OC(=O)C1=CNCC(c2c1[nH]c3c2ccc(c3)F)(C)C
• InChI: 1S/C18H21FN2O2/c1-10(2)23-17(22)13-8-20-9-18(3,4)15-12-6-5-11(19)7-14(12)21-16(13)15/h5-8,10,20-21H,9H2,1-4H3
• InChIKey: LCBILDCOUYKCBK-UHFFFAOYSA-N

Properties

• Density: 1.183g/cm³ (Cal.)
• Boiling point: 495.031°C at 760 mmHg (Cal.)
• Flash point: 253.186°C (Cal.)
• Refractive index: 1.57 (Cal.)