N,N,N-トリメチルアニリニウム

Phenyltrimethylammonium

HCID 15914CAS 3426-74-2

部分構造検索類似構造を探す

基本情報

標準SMILES: C[N+](C)(C)c1ccccc1
InChIKey: ZNEOHLHCKGUAEB-UHFFFAOYSA-N
分子式: C9H14N+
平均分子量: 136.21 g/mol
単同位体質量: 136.11207587

概要

Trimethylphenylammonium is a quaternary ammonium ion obtained by methylation of N,N-dimethylaniline.

名称と識別子

優先名称: Phenyltrimethylammonium
IUPAC: trimethyl(phenyl)azanium
現地名: N,N,N-トリメチルアニリニウム
英語名: phenyltrimethylammonium
分子式: C9H14N+
分子量: 136.22

名称と別名

Phenyltrimethylammonium3426-74-2TrimethylaniliniumTrimethylanilinium ionTrimethylphenylammonium ionTrimethylphenylammonium (1+ ion)Benzenaminium, N,N,N-trimethyl-6N2P1DR953DTXSID6044016RefChem:929089iodide of phenyltrimethylammoniumDTXCID4024016

名称をさらに表示

トリメチルフェニルアミニウムフェニルトリメチルアミニウムフェニルトリメチルアンモニウムN,N,N-トリメチルアニリニウムN,N,N-トリメチルベンゼンアミニウムトリメチルフェニルアンモニウムN,N,N-トリメチルベンゼンアンモニウムTrimethylphenylaminiumPhenyltrimethylaminium

trimethylphenylammoniumtrimethyl(phenyl)azaniumN,N,N-trimethylaniliniumMLS000069658X-Tractelutetrimethyl(phenyl)ammonium;iodideSMR000059200N,N,N-trimethylbenzenaminium

データベース識別子

CAS: 3426-74-2
PubChem CID: 15914
DTXSID: DTXSID6044016
ChEMBL: CHEMBL1229195
ChEBI: CHEBI:85318
UNII: 6N2P1DR953
Nikkaji: J209.383I

物性

構造計算による物性

XLogP: 1.8
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 1
重原子数: 10
形式電荷: 1
複雑度: 95.8

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

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)