Ethyl 4-(8-chloro-4-cyano-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate
[CAS# 860010-33-9]

Identification

• Name: Ethyl 4-(8-chloro-4-cyano-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate
• Synonyms: 4-Cyano Loratadine
• Molecular Formula: C₂₃H₂₂ClN₃O₂
• Molecular Weight: 407.89
• CAS Registry Number: 860010-33-9
• SMILES: CCOC(=O)N1CCC(=C2c3ccc(cc3CCc4c2nccc4C#N)Cl)CC1
• InChI: 1S/C23H22ClN3O2/c1-2-29-23(28)27-11-8-15(9-12-27)21-19-6-4-18(24)13-16(19)3-5-20-17(14-25)7-10-26-22(20)21/h4,6-7,10,13H,2-3,5,8-9,11-12H2,1H3
• InChIKey: SEMUBDLGVZWDDH-UHFFFAOYSA-N

Properties

• Density: 1.33g/cm³ (Cal.)
• Boiling point: 574.471°C at 760 mmHg (Cal.)
• Flash point: 301.229°C (Cal.)
• Refractive index: 1.641 (Cal.)