Trioctylmethylammonium chloride
Properties
- Molecular formula
- C25H54ClN
- Molar mass
- 404.16 g/mol
- Exact mass
- 403.3945 Da
- Density
- 0.884 g/mL (at 25 °C)
- Melting point
- −20 °C
- Boiling point
- 225 °C
- logP
- 5.52Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 21
Hazards
Danger
- H301 Toxic if swallowed79.6% of notifiers
- H302 Harmful if swallowed20.4% of notifiers
- H314 Causes severe skin burns and eye damage16.8% of notifiers
- H315 Causes skin irritation83.2% of notifiers
- H318 Causes serious eye damage39.8% of notifiers
- H319 Causes serious eye irritation60.2% of notifiers
- H400 Very toxic to aquatic life39.8% of notifiers
- H410 Very toxic to aquatic life with long lasting effects39.8% of notifiers
Aggregated from 191 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P405, P501
Identifiers
CAS number
5137-55-3SMILES
CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.[Cl-]InChIKey
XKBGEWXEAPTVCK-UHFFFAOYSA-MInChI
InChI=1S/C25H54N.ClH/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;/h5-25H2,1-4H3;1H/q+1;/p-1Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
16 names · show all
- 1-Octanaminium, N-methyl-N,N-dioctyl-, chloride (1:1)
- Methyltrioctylammonium chloride
- Ammonium, methyltrioctyl-, chloride
- 1-Octanaminium, N-methyl-N,N-dioctyl-, chloride
- Tricaprylmethylammonium chloride
- Trioctylmonomethylammonium chloride
- Capriquat
- Tri-n-octylmethylammonium chloride
- TOMAC
- Methyltricaprylammonium chloride
- TOMAC 75
- Aliquat 128
- N-Methyl-N,N,N-trioctylammonium chloride
- Methyltri-n-octylammonium chloride
- A 336
- A 336 (Catalyst)
Work with Trioctylmethylammonium 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
Boiling point under vacuumAt any pressure, from its normal boiling point
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.
Similar compounds
Tridodecylmethylammonium chloride7173-54-8100 % similar
Methyltributylammonium chloride56375-79-281 % similar
Caprylyltrimethylammonium chloride10108-86-867 % similar
Decyltrimethylammonium chloride10108-87-967 % similar
Dimethyldioctadecylammonium chloride107-64-267 % similar
Dodecyltrimethylammonium chloride112-00-567 % similar
Cetrimonium chloride112-02-767 % similar
Stearyltrimethylammonium chloride112-03-867 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.