トリメチルヘキサデシルアンモニウム

Cetyltrimethylammonium

HCID 2681

基本情報

CAS: 6899-10-1
標準SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)C
InChIKey: RLGQACBPNDBWTB-UHFFFAOYSA-N
分子式: C19H42N+
平均分子量: 284.5 g/mol
単同位体質量: 284.33117676

概要

Cetyltrimethylammonium ion is a quaternary ammonium ion in which the substituents on nitrogen are one hexadecyl and three methyl groups.

名称と識別子

優先名称: Cetyltrimethylammonium
IUPAC: hexadecyl(trimethyl)azanium
現地名: トリメチルヘキサデシルアンモニウム
英語名: cetrimonium
分子式: C19H42N+
分子量: 284.55

名称と別名

cetrimoniumCetyltrimethylammoniumHEXADECYLTRIMETHYLAMMONIUMCetyltrimethylammonium ionCetyltrimethylammonium cationTrimethylhexadecylammoniumHexadecyltrimethylammonium ion6899-10-1Cetrimonium ionN,N,N-Trimethyl-1-hexadecanaminiumCetrimonium cationAmmonium, hexadecyltrimethyl-

名称をさらに表示

トリメチルヘキサデシルアミニウムセトリモニウムセチルトリメチルアンモニウムN,N,N-トリメチル-1-ヘキサデカンアミニウムトリメチル(ヘキサデシル)アミニウムセチルトリメチルアミニウムN-セチル-N,N,N-トリメチルアミニウムヘキサデシルトリメチルアミニウムN,N,N-トリメチルヘキサデカン-1-アミニウムヘキサデシルトリメチルアンモニウムトリメチルセチルアミニウムトリメチルヘキサデシルアンモニウムC004322Cetyltrimethylaminium

1-Hexadecanaminium, N,N,N-trimethyl-Hexadecyltrimethylammonium cationZ7FF1XKL7ACHEBI:39561PB-300cetriminiumCTAOHhexadecyltrimethylazanium

データベース識別子

CAS: 6899-10-1
PubChem CID: 2681
DTXSID: DTXSID3047978
ChEMBL: CHEMBL1183605
ChEBI: CHEBI:39561
UNII: Z7FF1XKL7A
Nikkaji: J8.861G

物性

構造計算による物性

XLogP: 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: 15
重原子数: 20
形式電荷: 1
複雑度: 181

実験および物理化学的性質

Drugs · 2 件

Pharmaceuticals -> Listed in ZINC15

Pharmaceuticals

PesticidesBiocide

Endocrine DisruptorsPotential endocrine disrupting compound

Collision Cross Section · 2 件

193.1 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID5037028]

195.73 Å² [M]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

安全と法規制

毒性情報

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

化学と産業

薬理情報

ATC Code · 4 件

R - Respiratory system

D - Dermatologicals

QD - Dermatologicals

QR - Respiratory system

MeSH Pharmacological ClassificationSubstances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects.

用途と製造

UsesCetyl-Trimethyl-Ammonium, Cetrimonium, cetyl trimethylammonium, or hexadecyltrimethylammonium is a quaternary ammonium cation whose bromide and chloride salts are used as antiseptics.