Cetrimonium hydroxide

C₁₉H₄₃NOCAS 505-86-2301.56 g/mol

Open in Covalent MOL file

Quaternary ammonium

Properties

Molecular formula: C₁₉H₄₃NO
Molar mass: 301.56 g/mol
Exact mass: 301.3345 Da
logP: 6.00Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 15

Hazards

Danger

H314 Causes severe skin burns and eye damage98% of notifiers
H318 Causes serious eye damage13.7% of notifiers
H370 Causes damage to organs11.8% of notifiers

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P308+P316, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

505-86-2

SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.[OH-]

InChIKey

WJLUBOLDZCQZEV-UHFFFAOYSA-M

InChI

InChI=1S/C19H42N.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H2/q+1;/p-1

Weigh it out

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

Names and synonyms

7 names

Cetyltrimethylammonium hydroxide
1-Hexadecanaminium, N,N,N-trimethyl-, hydroxide (1:1)
Ammonium, hexadecyltrimethyl-, hydroxide
1-Hexadecanaminium, N,N,N-trimethyl-, hydroxide
Hexadecyltrimethylammonium hydroxide
Trimethylhexadecylammonium hydroxide
N,N,N-Trimethylhexadecan-1-aminium hydroxide

Work with Cetrimonium hydroxide

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.

Cetrimonium bromide57-09-0Salt Cetrimonium chloride112-02-7Salt Cetyltrimethylammonium hydrogen sulfate68214-07-3Salt

Similar compounds

Caprylyltrimethylammonium chloride10108-86-874 % similar Decyltrimethylammonium chloride10108-87-974 % similar Dodecyltrimethylammonium bromide1119-94-474 % similar Tetradecyltrimethylammonium bromide1119-97-774 % similar Dodecyltrimethylammonium chloride112-00-574 % similar Stearyltrimethylammonium chloride112-03-874 % similar Octadecyltrimethylammonium bromide1120-02-174 % similar Decyltrimethylammonium bromide2082-84-074 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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