Tetrabutyl ammonium chloride hydrate

C₁₆H₃₈ClNOCAS 37451-68-6295.94 g/mol

Open in Covalent MOL file

Quaternary ammonium

Properties

Molecular formula: C₁₆H₃₈ClNO
Molar mass: 295.94 g/mol
Exact mass: 295.2642 Da
logP: 1.18Crippen estimate
Polar surface area: 31.5 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 12

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation45.8% of notifiers

Aggregated from 72 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

37451-68-6

SMILES

CCCC[N+](CCCC)(CCCC)CCCC.O.[Cl-]

InChIKey

FODWRUPJCKASBN-UHFFFAOYSA-M

InChI

InChI=1S/C16H36N.ClH.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;1H;1H2/q+1;;/p-1

Weigh it out

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

Names and synonyms

1 names

Tetrabutylammonium chloride hydrate

Work with Tetrabutyl ammonium chloride hydrate

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.

Tetrabutylammonium chloride1112-67-0Anhydrous Tetra-n-butylammonium iodide311-28-4Salt Tetra-n-butylammonium fluoride429-41-4Salt Tetrabutylammonium bromide1643-19-2Salt Tetrabutylammonium hexafluorophosphate3109-63-5Salt Tetrabutylammonium hydroxide2052-49-5Salt Tetrabutylammonium tribromide38932-80-8Salt Tetrabutylammonium tetrafluoroborate429-42-5Salt Tetrabutylammonium borohydride33725-74-5Salt Tetrabutylammonium hydrogen sulfate32503-27-8Salt Tetrabutylammonium perchlorate1923-70-2Salt Tetrabutylammonium trifluoromethanesulfonate35895-70-6Salt

Similar compounds

Tetrapentylammonium chloride4965-17-771 % similar Tetrapropylammonium chloride5810-42-457 % similar Methyltributylammonium chloride56375-79-254 % similar Tetrapentylammonium iodide2498-20-650 % similar Benzyltributylammonium chloride23616-79-748 % similar Tetraoctylammonium bromide14866-33-248 % similar Tetradecylammonium bromide14937-42-948 % similar Tetrahexylammonium iodide2138-24-148 % similar

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

Elsewhere

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