Ethanone, 1-(2,5-bis(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, dihydrochloride

[3-[2-acetyl-4-[3-(tert-butylazaniumyl)-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]-tert-butylazanium dichloride

CAS: 87049-13-6

Molecular Formula	`C22H40Cl2N2O5`
Molecular Weight	483.5 g/mol
Topological Polar Surface Area	109.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	13
Exact Mass	482.2314
Heavy Atoms	31
Complexity	487.0

Chemical Identifiers

CAS Number	87049-13-6
SMILES	`CC(=O)C1=C(C=CC(=C1)OCC(C[NH2+]C(C)(C)C)O)OCC(C[NH2+]C(C)(C)C)O.[Cl-].[Cl-]`
InChIKey	`DIXJVWGTNZXSMZ-UHFFFAOYSA-N`

📖 Product Overview

Ethanone, 1-(2,5-bis(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, dihydrochloride (CAS: 87049-13-6) is a chemical compound with molecular formula C22H40Cl2N2O5 and molecular weight 483.5 g/mol. Its IUPAC systematic name is [3-[2-acetyl-4-[3-(tert-butylazaniumyl)-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]-tert-butylazanium dichloride. Topological Polar Surface Area 109.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 7 Rotatable Bonds 13 Exact Mass 482.2314 Heavy Atoms 31 Complexity 487.0 InChI Key: DIXJVWGTNZXSMZ-UHFFFAOYSA-N. SMILES: CC(=O)C1=C(C=CC(=C1)OCC(C[NH2+]C(C)(C)C)O)OCC(C[NH2+]C(C)(C)C)O.[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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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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