(1-morpholin-4-ium-4-yl-3-phenylhex-5-yn-3-yl) 2-phenoxyacetate chloride

CAS: 54137-36-9

Molecular Formula	`C24H28ClNO4`
Molecular Weight	429.9 g/mol
Topological Polar Surface Area	49.2 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	10
Exact Mass	429.1707
Heavy Atoms	30
Complexity	538.0

Chemical Identifiers

CAS Number	54137-36-9
SMILES	`C#CCC(CC[NH+]1CCOCC1)(C2=CC=CC=C2)OC(=O)COC3=CC=CC=C3.[Cl-]`
InChIKey	`PQKDMYUFSYNPFG-UHFFFAOYSA-N`

📖 Product Overview

(1-morpholin-4-ium-4-yl-3-phenylhex-5-yn-3-yl) 2-phenoxyacetate chloride (CAS: 54137-36-9) is a chemical compound with molecular formula C24H28ClNO4 and molecular weight 429.9 g/mol. Its IUPAC systematic name is (1-morpholin-4-ium-4-yl-3-phenylhex-5-yn-3-yl) 2-phenoxyacetate chloride. Topological Polar Surface Area 49.2 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 10 Exact Mass 429.1707 Heavy Atoms 30 Complexity 538.0 InChI Key: PQKDMYUFSYNPFG-UHFFFAOYSA-N. SMILES: C#CCC(CC[NH+]1CCOCC1)(C2=CC=CC=C2)OC(=O)COC3=CC=CC=C3.[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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