[5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylazanium bromide

CAS: 1031-38-5

Molecular Formula	`C16H26BrNO3`
Molecular Weight	360.29 g/mol
Topological Polar Surface Area	38.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	359.10962
Heavy Atoms	21
Complexity	310.0

Chemical Identifiers

CAS Number	1031-38-5
SMILES	`CC1(OCC(CO1)(C[N+](C)(C)C)CO)C2=CC=CC=C2.[Br-]`
InChIKey	`ZXAOAWDGSZABDD-UHFFFAOYSA-M`

📖 Product Overview

[5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylazanium bromide (CAS: 1031-38-5) is a chemical compound with molecular formula C16H26BrNO3 and molecular weight 360.29 g/mol. Its IUPAC systematic name is [5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylazanium bromide. Topological Polar Surface Area 38.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 359.10962 Heavy Atoms 21 Complexity 310.0 InChI Key: ZXAOAWDGSZABDD-UHFFFAOYSA-M. SMILES: CC1(OCC(CO1)(C[N+](C)(C)C)CO)C2=CC=CC=C2.[Br-].

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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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