Cetyltrimethylammonium

HCID 2681CAS 6899-10-1
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Grundinformationen

Standard-SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)C
InChIKey
RLGQACBPNDBWTB-UHFFFAOYSA-N
Summenformel
C19H42N+
Durchschnittliche Molmasse
284,5 g/mol
Monoisotopische Masse
284,33117676

Überblick

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

Namen und Bezeichner

Bevorzugter Name
Cetyltrimethylammonium
IUPAC
hexadecyl(trimethyl)azanium
Englischer Name
cetrimonium
Summenformel
C19H42N+
Molmasse
284.55

Namen und Synonyme

cetrimoniumCetyltrimethylammoniumHEXADECYLTRIMETHYLAMMONIUMCetyltrimethylammonium ionCetyltrimethylammonium cationTrimethylhexadecylammoniumHexadecyltrimethylammonium ion6899-10-1Cetrimonium ionN,N,N-Trimethyl-1-hexadecanaminiumCetrimonium cationAmmonium, hexadecyltrimethyl-
Weitere Namen anzeigen
C004322Cetyltrimethylaminium
1-Hexadecanaminium, N,N,N-trimethyl-Hexadecyltrimethylammonium cationZ7FF1XKL7ACHEBI:39561PB-300cetriminiumCTAOHhexadecyltrimethylazanium

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
8
Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
0
Frei drehbare Bindungen
15
Schwere Atome
20

Experimentelle und physikochemische Eigenschaften

Drugs · 2 Einträge

Pharmaceuticals -> Listed in ZINC15

Pharmaceuticals

PesticidesBiocide
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section · 2 Einträge

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

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

Sicherheit und Regulatorisches

Toxikologische Informationen

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

Chemie und Industrie

Pharmakologische Informationen

ATC Code · 4 Einträge

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.

Verwendung und Herstellung

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

Ergänzende Hinweise

DefinitionChEBI: A quaternary ammonium ion in which the substituents on nitrogen are one hexadecyl and three methyl groups.

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