Basic information
- CAS
3426-74-2- Standard SMILES
C[N+](C)(C)c1ccccc1- InChIKey
ZNEOHLHCKGUAEB-UHFFFAOYSA-N- Molecular formula
- C9H14N+
- Average molar mass
- 136.21 g/mol
- Monoisotopic mass
- 136.11207587
Overview
Trimethylphenylammonium is a quaternary ammonium ion obtained by methylation of N,N-dimethylaniline.
Names & identifiers
- Preferred name
- Phenyltrimethylammonium
- IUPAC
- trimethyl(phenyl)azanium
- English name
- phenyltrimethylammonium
- Molecular formula
- C9H14N+
- Molecular weight
- 136.22
Names & synonyms
Phenyltrimethylammonium3426-74-2TrimethylaniliniumTrimethylanilinium ionTrimethylphenylammonium ionTrimethylphenylammonium (1+ ion)Benzenaminium, N,N,N-trimethyl-6N2P1DR953DTXSID6044016RefChem:929089iodide of phenyltrimethylammoniumDTXCID4024016
Show more names
TrimethylphenylaminiumPhenyltrimethylaminium
trimethylphenylammoniumtrimethyl(phenyl)azaniumN,N,N-trimethylaniliniumMLS000069658X-Tractelutetrimethyl(phenyl)ammonium;iodideSMR000059200N,N,N-trimethylbenzenaminium
Database identifiers
- CAS
3426-74-2- PubChem CID
- 15914
- DTXSID
DTXSID6044016- ChEMBL
CHEMBL1229195- ChEBI
CHEBI:85318- UNII
- 6N2P1DR953
- Nikkaji
- J209.383I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 1
- Complexity
- 95.8
Physicochemical properties
- FDA UNII
- 6 N2P1DR953 · 6N2P1DR953
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
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)
Suppliers1 total
Syntechem Co.,Ltd[email protected]
Additional notes
DefinitionChEBI: A quaternary ammonium ion obtained by methylation of N,N-dimethylaniline.
Related reactions
91 records
Compound notes
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