(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate chloride

CAS: 93101-83-8

Molecular Formula	`C18H26ClNO3`
Molecular Weight	339.9 g/mol
Topological Polar Surface Area	51.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	339.16013
Heavy Atoms	23
Complexity	413.0

Chemical Identifiers

CAS Number	93101-83-8
SMILES	`CC(C)C(C1=CC=CC=C1)(C(=O)OCC2=CC[NH+](CC2)C)O.[Cl-]`
InChIKey	`XUJGQKXNYMRRAN-UHFFFAOYSA-N`

📖 Product Overview

(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate chloride (CAS: 93101-83-8) is a chemical compound with molecular formula C18H26ClNO3 and molecular weight 339.9 g/mol. Its IUPAC systematic name is (1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate chloride. Topological Polar Surface Area 51.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 6 Exact Mass 339.16013 Heavy Atoms 23 Complexity 413.0 InChI Key: XUJGQKXNYMRRAN-UHFFFAOYSA-N. SMILES: CC(C)C(C1=CC=CC=C1)(C(=O)OCC2=CC[NH+](CC2)C)O.[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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📚 Academic Support

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for (1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate chloride.

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