CAS 10182-92-0 Tetradecyltrimethylammonium (HCID 14251)

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Basic information

CAS: 10182-92-0
Standard SMILES: CCCCCCCCCCCCCC[N+](C)(C)C
InChIKey: GLFDLEXFOHUASB-UHFFFAOYSA-N
Molecular formula: C17H38N+
Average molar mass: 256.5 g/mol
Monoisotopic mass: 256.29987664

Overview

Cetrimide cation(1+) is an organic molecular entity.

Names & identifiers

Preferred name: Tetradecyltrimethylammonium
IUPAC: trimethyl(tetradecyl)azanium
English name: trimethyltetradecylammonium
Molecular formula: C17H38N+
Molecular weight: 256.5

Names & synonyms

Trimethyltetradecylammonium10182-92-0TetradecyltrimethylammoniumtetradoniummyristyltrimethylammoniumN,N,N-Trimethyl-1-tetradecanaminiumTETRADONIUM CATIONY3IR7RCT6JTETRADONIUM IONAMMONIUM, TRIMETHYLTETRADECYL-1-Tetradecanaminium, N,N,N-trimethyl-RefChem:188545

Show more names

TrimethyltetradecylaminiumTetradecyltrimethylaminiumTrimethyl(tetradecyl)aminium

233-454-5trimethyl(tetradecyl)azaniumMyristyltrimethylammonium; TetradecyltrimethylammoniumNCGC00166121-01UNII-Y3IR7RCT6JEINECS 233-454-5SCHEMBL119448CHEMBL113150

Database identifiers

CAS: 10182-92-0
PubChem CID: 14251
DTXSID: DTXSID9045009
ChEMBL: CHEMBL1180003
ChEBI: CHEBI:232882
UNII: Y3IR7RCT6J
EC Number

Properties

Computed structural properties

XLogP: 7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 13
Heavy atoms: 18
Formal charge: 1
Complexity: 157

Experimental & physicochemical properties

CosmeticsPersonal care product

Collision Cross Section185.7 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9041289]

Physicochemical properties

FDA UNII: 3 IR7RCT6J · Y3IR7RCT6J

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties.

Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics.