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Phenyltrimethylammonium benzenesulfonate

HCID 85279
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Basic information

CAS
16093-66-6
Standard SMILES
C[N+](C)(C)c1ccccc1.O=S(=O)([O-])c1ccccc1
InChIKey
XQQLGIPIFXUSET-UHFFFAOYSA-M
Molecular formula
C15H19NO3S
Average molar mass
293.4 g/mol
Monoisotopic mass
293.10856464

Names & identifiers

Preferred name
Phenyltrimethylammonium benzenesulfonate
IUPAC
benzenesulfonate;trimethyl(phenyl)azanium

Names & synonyms

phenyltrimethylammonium benzenesulfonateRefChem:86184216093-66-6Benzenaminium, N,N,N-trimethyl-, benzenesulfonateTrimethylphenylammonium benzenesulfonatePhenyltrimethylammonium besylate2QNZ294Q5ONSC-108349Benzenaminium, N,N,N-trimethyl-, benzenesulfonate (1:1)NSC 108349Ammonium, trimethylphenyl-, benzenesulfonateAmmonium, benzenesulfonate
Show more names
UNII-2QNZ294Q5OSCHEMBL330822DTXSID2066010XQQLGIPIFXUSET-UHFFFAOYSA-MNSC108349N,N,N-trimethylanilinium benzenesulfonateDS-010310Benzenaminium,N,N-trimethyl-, benzenesulfonate

Database identifiers

CAS
16093-66-6
PubChem CID
85279
DTXSID
DTXSID2066010
UNII
2QNZ294Q5O

Properties

Computed structural properties

Topological polar surface area
65.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
20
Formal charge
0
Complexity
266

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 1 item

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

Uses & manufacturing

General Manufacturing InformationBenzenaminium, N,N,N-trimethyl-, benzenesulfonate (1:1): INACTIVE

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Compound notes

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