N,N,N-トリエチルエタンアンモニウム

Tetraethylammonium

HCID 5413CAS 1185-59-7

部分構造検索類似構造を探す

基本情報

標準SMILES: CC[N+](CC)(CC)CC
InChIKey: CBXCPBUEXACCNR-UHFFFAOYSA-N
分子式: C8H20N+
平均分子量: 130.25 g/mol
単同位体質量: 130.15902606

概要

Tetraethylammonium is a quaternary ammonium ion.

名称と識別子

優先名称: Tetraethylammonium
IUPAC: tetraethylazanium
現地名: テトラエチルアミニウム·アセタート
英語名: Tetraethylammonium acetate
分子式: C10H23NO2
分子量: 189.3

名称と別名

TetraethylammoniumtetraethylazaniumTetramonN,N,N-TriethylethanaminiumTetrylammonium66-40-0TETRAETHYLAMMONIUM IONAMMONIUM, TETRAETHYL-Ethanaminium, N,N,N-triethyl-5AV7G7EIEETetraethylammonium cationNSC-156315

名称をさらに表示

テトラエチルアミニウム·アセタートN,N,N-トリエチルエタンアミニウム·アセタート酢酸テトラエチルアンモニウムテトラエチルアミニウム・アセタートN,N,N-トリエチルエタンアミニウム・アセタートテトラエチルアンモニウム・アセタート[E4N]AcNsc152122TetraethylammoniumacetatTetraethylaminium·acetateTetraethylazanium acetateTETRAETHYLAMMONIUM ACETATEtetraethylammomium acetateAmmonium, tetraethyl-, acetateTetraethylammonium acetate，99%Tetraethylammonium acetate ,98%

NSC-102778DTXSID2045024CHEBI:44296Ion, TetraethylammoniumRefChem:896989DTXCID0025024TetraetilammonioTetraetilammonio [Italian]

データベース識別子

CAS: 1185-59-7、66-40-0
PubChem CID: 5413
DTXSID: DTXSID2045024
ChEMBL: CHEMBL9324
ChEBI: CHEBI:44296
UNII: 5AV7G7EIEE
Nikkaji: J91.253K

物性

構造計算による物性

XLogP: 1.7
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: 4
重原子数: 9
形式電荷: 1
複雑度: 47.5

実験および物理化学的性質

PFASPFAS -> Other/unspecified

DrugsPharmaceuticals -> Listed in ZINC15

SolubilitySoluble in water.

Ionization Efficiency · 6 件

Positive

3.95

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Collision Cross Section125.7 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9044457]

物理化学的性質

融点: 42 · 42-46 °C(lit.)
貯蔵温度: 2 · Sealed in dry,2-8°C
CAS データベース: 1185 · 1185-59-7(CAS DataBase Reference)
EPAの化学物質情報: Ethanaminium, N,N,N-triethyl-, acetate (1185-59-7)

安全と法規制

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 1325 4.1/PG 2
risk_code: 11
hazard_code: F
safety_code: 16

化学と産業

薬理情報

PharmacodynamicsTetraethylammonium is a vasodilator because it blocks autonomic ganglia and prevents signals carrying vasoconstrictor impulses from proceeding.

Mechanism of ActionTetraethylammonium's mechanism of action is still being investigated, but it is known that it blocks autonomic ganglia, calcium- and voltage- activated potassium channels, and nicotinic acetylcholine receptors.

MeSH Pharmacological ClassificationA class of drugs that act by inhibition of potassium efflux through cell membranes. Blockade of potassium channels prolongs the duration of ACTION POTENTIALS. They are used as ANTI-ARRHYTHMIA AGENTS and VASODILATOR AGENTS.

Absorption, Distribution and ExcretionTetraethylammonium is eliminated by active renal tubular secretion by the cation transport system.

応用分野

使用Tetraethylammonium Acetate is a catalyst used to prepare carbon dioxide-cyclohexene epoxide alternating copolymer with catalyst aluminum complex-ammonium salt system.