Stearyltrimethylammonium chloride

C₂₁H₄₆ClNCAS 112-03-8348.06 g/mol

Open in Covalent MOL file

Quaternary ammonium

Properties

Molecular formula: C₂₁H₄₆ClN
Molar mass: 348.06 g/mol
Exact mass: 347.3319 Da
logP: 3.96Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 17

Hazards

Danger

H302 Harmful if swallowed88.1% of notifiers
H311 Toxic in contact with skin54.5% of notifiers
H312 Harmful in contact with skin19.8% of notifiers
H314 Causes severe skin burns and eye damage79.1% of notifiers
H318 Causes serious eye damage29.5% of notifiers
H400 Very toxic to aquatic life71.6% of notifiers
H410 Very toxic to aquatic life with long lasting effects78.7% of notifiers

Aggregated from 268 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, P363, P391, P405, P501

Identifiers

CAS number

112-03-8

SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]

InChIKey

VBIIFPGSPJYLRR-UHFFFAOYSA-M

InChI

InChI=1S/C21H46N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

60 names · show all

Monostearyltrimethylammonium chloride
Arquad 18-55
CA 2450
CA 2465
Cation AB 600
Nissan cation AB 600
Arquad 18-63
Electrostripper QE
1-Octadecanaminium, N,N,N-trimethyl-, chloride (1:1)
Trimethyloctadecylammonium chloride
Ammonium, trimethyloctadecyl-, chloride
1-Octadecanaminium, N,N,N-trimethyl-, chloride
Aliquat 7
Arquad 18
Octadecyltrimethylammonium chloride
Trimethylstearylammonium chloride
STAC
Nissan cation AB
Quaternium 10
Cation AB
Arquad 18-50
Kamin RMS
Lebon TM 18
Quartamin 86P
Boraquat P 30
Quartamin 869P
Varisoft TSC
Dehyquart B
Catinal STS 80
Quartamin 86W
Quartamin 86P conc
Quartamin 86
Catinal STC 25W
Stearyltrimonium chloride
Catinal STC 80
Q-S-T 50
Catiogen TMS
Genamin STACP
Genamin STAC
Catinal STC 25AQ
Stearimonium chloride
Quartamin 80W
Steartrimonium chloride
FAC 1W
Miconium STAC 65
Quartamin P 85
AB 250
AB 250 (surfactant)
Catinal STC 70ET
Nikkol CA 2465
Nikkol CA 2450
Econol TMS 28
Cationic emulsifier 1831
Quaternium 1831
Arcade T 800
Lipo gard 18-63
Lipoquad T 800
Nikkol NET-SG 60C
Kotamin 86P
Lipoquad T 833

Work with Stearyltrimethylammonium chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Octadecyltrimethylammonium bromide1120-02-1Salt

Similar compounds

Caprylyltrimethylammonium chloride10108-86-8100 % similar Decyltrimethylammonium chloride10108-87-9100 % similar Dodecyltrimethylammonium chloride112-00-5100 % similar Cetrimonium chloride112-02-7100 % similar Tetradecyltrimethylammonium chloride4574-04-3100 % similar Dodecyltrimethylammonium bromide1119-94-474 % similar Tetradecyltrimethylammonium bromide1119-97-774 % similar Decyltrimethylammonium bromide2082-84-074 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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