[3-(4-bromo-2-phenylpent-4-enoyl)oxy-2,2-dimethylpropyl]-diethyl-methylazaniummethyl sulfate

[3-(4-bromo-2-phenylpent-4-enoyl)oxy-2,2-dimethylpropyl]-diethyl-methylazanium;methyl sulfate

CAS: 66902-92-9

Molecular Formula	`C22H36BrNO6S`
Molecular Weight	522.5 g/mol
Topological Polar Surface Area	101.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	11
Exact Mass	521.14465
Heavy Atoms	31
Complexity	528.0

Chemical Identifiers

CAS Number	66902-92-9
SMILES	`CC[N+](C)(CC)CC(C)(C)COC(=O)C(CC(=C)Br)C1=CC=CC=C1.COS(=O)(=O)[O-]`
InChIKey	`LOZDQBCXUFSNNU-UHFFFAOYSA-M`

📖 Product Overview

[3-(4-bromo-2-phenylpent-4-enoyl)oxy-2,2-dimethylpropyl]-diethyl-methylazaniummethyl sulfate (CAS: 66902-92-9) is a chemical compound with molecular formula C22H36BrNO6S and molecular weight 522.5 g/mol. Its IUPAC systematic name is [3-(4-bromo-2-phenylpent-4-enoyl)oxy-2,2-dimethylpropyl]-diethyl-methylazanium;methyl sulfate. Topological Polar Surface Area 101.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 11 Exact Mass 521.14465 Heavy Atoms 31 Complexity 528.0 InChI Key: LOZDQBCXUFSNNU-UHFFFAOYSA-M. SMILES: CC[N+](C)(CC)CC(C)(C)COC(=O)C(CC(=C)Br)C1=CC=CC=C1.COS(=O)(=O)[O-].

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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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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [3-(4-bromo-2-phenylpent-4-enoyl)oxy-2,2-dimethylpropyl]-diethyl-methylazaniummethyl sulfate.

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