[3-(3-ethoxycarbonyl-2-methylbenzo[g][1]benzofuran-6-yl)oxy-2-hydroxypropyl]-propan-2-ylazanium chloride

CAS: 76410-23-6

Molecular Formula	`C22H28ClNO5`
Molecular Weight	421.9 g/mol
Topological Polar Surface Area	85.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	9
Exact Mass	421.1656
Heavy Atoms	29
Complexity	513.0

Chemical Identifiers

CAS Number	76410-23-6
SMILES	`CCOC(=O)C1=C(OC2=C1C=CC3=C2C=CC=C3OCC(C[NH2+]C(C)C)O)C.[Cl-]`
InChIKey	`PJYZXOZDONYNLE-UHFFFAOYSA-N`

📖 Product Overview

[3-(3-ethoxycarbonyl-2-methylbenzo[g][1]benzofuran-6-yl)oxy-2-hydroxypropyl]-propan-2-ylazanium chloride (CAS: 76410-23-6) is a chemical compound with molecular formula C22H28ClNO5 and molecular weight 421.9 g/mol. Its IUPAC systematic name is [3-(3-ethoxycarbonyl-2-methylbenzo[g][1]benzofuran-6-yl)oxy-2-hydroxypropyl]-propan-2-ylazanium chloride. Topological Polar Surface Area 85.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 9 Exact Mass 421.1656 Heavy Atoms 29 Complexity 513.0 InChI Key: PJYZXOZDONYNLE-UHFFFAOYSA-N. SMILES: CCOC(=O)C1=C(OC2=C1C=CC3=C2C=CC=C3OCC(C[NH2+]C(C)C)O)C.[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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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [3-(3-ethoxycarbonyl-2-methylbenzo[g][1]benzofuran-6-yl)oxy-2-hydroxypropyl]-propan-2-ylazanium chloride.

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