ISONIPECOTIC ACID, 1-METHYL-4-PHENYL-, ETHYL ESTER, 1-OXIDE, HYDROCHLORIDE

ethyl 1-methyl-1-oxido-4-phenylpiperidin-1-ium-4-carboxylate chloride

CAS: 4956-15-4

Molecular Formula	`C15H21ClNO3-`
Molecular Weight	298.78 g/mol
Topological Polar Surface Area	44.4 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	298.121
Heavy Atoms	20
Complexity	315.0

Chemical Identifiers

CAS Number	4956-15-4
SMILES	`CCOC(=O)C1(CC[N+](CC1)(C)[O-])C2=CC=CC=C2.[Cl-]`
InChIKey	`HWLYBYWUQNGVTB-UHFFFAOYSA-M`

📖 Product Overview

ISONIPECOTIC ACID, 1-METHYL-4-PHENYL-, ETHYL ESTER, 1-OXIDE, HYDROCHLORIDE (CAS: 4956-15-4) is a chemical compound with molecular formula C15H21ClNO3- and molecular weight 298.78 g/mol. Its IUPAC systematic name is ethyl 1-methyl-1-oxido-4-phenylpiperidin-1-ium-4-carboxylate chloride. Topological Polar Surface Area 44.4 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 298.121 Heavy Atoms 20 Complexity 315.0 InChI Key: HWLYBYWUQNGVTB-UHFFFAOYSA-M. SMILES: CCOC(=O)C1(CC[N+](CC1)(C)[O-])C2=CC=CC=C2.[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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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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📚 Academic Support

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