chempirical

Tetraethylammonium chloride monohydrate

C8H22ClNOCAS 68696-18-4183.72 g/mol

Open in Covalent MOL file
N+H2OCl−
Quaternary ammonium

Properties

Molecular formula
C8H22ClNO
Molar mass
183.72 g/mol
Exact mass
183.1390 Da
logP
-1.94Crippen estimate
Polar surface area
31.5 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
68696-18-4
SMILES
CC[N+](CC)(CC)CC.O.[Cl-]
InChIKey
CALLTGJPWMIDPC-UHFFFAOYSA-M
InChI
InChI=1S/C8H20N.ClH.H2O/c1-5-9(6-2,7-3)8-4;;/h5-8H2,1-4H3;1H;1H2/q+1;;/p-1

Weigh it out

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

Work with Tetraethylammonium chloride monohydrate

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.

Tetraethylammonium chloride56-34-8Anhydrous Tetraethylammonium bromide71-91-0Salt Tetraethylammonium iodide68-05-3Salt Tetraethylammonium hydroxide77-98-5Salt Tetraethylammonium perfluorooctanesulfonate56773-42-3Salt Tetraethylammonium tetrafluoroborate429-06-1Salt Tetraethylammonium p-toluenesulfonate733-44-8Salt Tetraethylammonium hexafluorophosphate429-07-2Salt Tetraethylammonium trifluoromethanesulfonate35895-69-3Salt Tetraethylammonium hydrogen sulfate16873-13-5Salt Tetraethylammonium nitrate1941-26-0Salt Tetraethylammonium perchlorate2567-83-1Salt

Similar compounds

Tetrabutyl ammonium chloride hydrate37451-68-648 % similar Triethylmethylammonium chloride10052-47-845 % similar Neodymium(III) chloride hexahydrate13477-89-941 % similar Benzyl triethylammonium chloride56-37-141 % similar Tetrapropylammonium chloride5810-42-438 % similar Lithium chloride monohydrate16712-20-235 % similar Lithium chloride hydrate85144-11-235 % similar Tetrabutylammonium chloride1112-67-035 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook