세트리모늄

Cetyltrimethylammonium

HCID 2681CAS 6899-10-1

기본 정보

표준 SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)C
InChIKey: RLGQACBPNDBWTB-UHFFFAOYSA-N
분자식: C19H42N+
평균 분자량: 284.5 g/mol
단동위원소 질량: 284.33117676

개요

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

이름 및 식별자

우선 이름: Cetyltrimethylammonium
IUPAC: hexadecyl(trimethyl)azanium
현지명: 세트리모늄
영어명: cetrimonium
분자식: C19H42N+
분자량: 284.55

이름 및 동의어

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

이름 더 보기

세트리모늄C004322Cetyltrimethylaminium

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 8
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 15
무거운 원자 수: 20
형식 전하: 1
복잡도: 181

실험 및 물리화학적 성질

Drugs · 2건

Pharmaceuticals -> Listed in ZINC15

Pharmaceuticals

PesticidesBiocide

Endocrine DisruptorsPotential endocrine disrupting compound

Collision Cross Section · 2건

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]

안전 및 규제

독성 정보

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

화학 및 산업

약리 정보

ATC Code · 4건

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.

용도 및 제조

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