[1-(4-chlorophenyl)-2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)ethyl] acetate chloride

CAS: 63938-05-6

Molecular Formula	`C22H27Cl2NO4`
Molecular Weight	440.4 g/mol
Topological Polar Surface Area	49.2 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	439.1317
Heavy Atoms	29
Complexity	511.0

Chemical Identifiers

CAS Number	63938-05-6
SMILES	`CC(=O)OC(CC1C2=CC(=C(C=C2CC[NH+]1C)OC)OC)C3=CC=C(C=C3)Cl.[Cl-]`
InChIKey	`UPHNITDUIYSNSY-UHFFFAOYSA-N`

📖 Product Overview

[1-(4-chlorophenyl)-2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)ethyl] acetate chloride (CAS: 63938-05-6) is a chemical compound with molecular formula C22H27Cl2NO4 and molecular weight 440.4 g/mol. Its IUPAC systematic name is [1-(4-chlorophenyl)-2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)ethyl] acetate chloride. Topological Polar Surface Area 49.2 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 7 Exact Mass 439.1317 Heavy Atoms 29 Complexity 511.0 InChI Key: UPHNITDUIYSNSY-UHFFFAOYSA-N. SMILES: CC(=O)OC(CC1C2=CC(=C(C=C2CC[NH+]1C)OC)OC)C3=CC=C(C=C3)Cl.[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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Frequently Asked Questions

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What documentation do you provide with the product?

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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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [1-(4-chlorophenyl)-2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)ethyl] acetate chloride.

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