ethyl 1-[2-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride

CAS: 15991-27-2

Molecular Formula	`C31H36ClNO3`
Molecular Weight	506.1 g/mol
Topological Polar Surface Area	51.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	7
Exact Mass	505.23837
Heavy Atoms	36
Complexity	669.0

Chemical Identifiers

CAS Number	15991-27-2
SMILES	`CCOC(=O)C1(CC[NH+](CC1)CCC2(C3=CC=CC=C3CCC4=CC=CC=C42)O)C5=CC=CC=C5.[Cl-]`
InChIKey	`OSYDTQRKKJVBON-UHFFFAOYSA-N`

📖 Product Overview

ethyl 1-[2-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride (CAS: 15991-27-2) is a chemical compound with molecular formula C31H36ClNO3 and molecular weight 506.1 g/mol. Its IUPAC systematic name is ethyl 1-[2-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride. Topological Polar Surface Area 51.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 7 Exact Mass 505.23837 Heavy Atoms 36 Complexity 669.0 InChI Key: OSYDTQRKKJVBON-UHFFFAOYSA-N. SMILES: CCOC(=O)C1(CC[NH+](CC1)CCC2(C3=CC=CC=C3CCC4=CC=CC=C42)O)C5=CC=CC=C5.[Cl-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for ethyl 1-[2-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride.

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