Tetrapropylammonium chloride

C₁₂H₂₈ClNCAS 5810-42-4221.81 g/mol

Open in Covalent MOL file

Quaternary ammonium

Properties

Molecular formula: C₁₂H₂₈ClN
Molar mass: 221.81 g/mol
Exact mass: 221.1910 Da
Melting point: 175–194 °C
logP: 0.45Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 8

Hazards

Warning

H315 Causes skin irritation91.5% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 47 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

5810-42-4

SMILES

CCC[N+](CCC)(CCC)CCC.[Cl-]

InChIKey

FBEVECUEMUUFKM-UHFFFAOYSA-M

InChI

InChI=1S/C12H28N.ClH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

5 names

1-Propanaminium, N,N,N-tripropyl-, chloride (1:1)
Ammonium, tetrapropyl-, chloride
1-Propanaminium, N,N,N-tripropyl-, chloride
Tetra-n-propylammonium chloride
N,N,N-Tripropyl-1-propanaminium chloride

Work with Tetrapropylammonium 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.

Tetrapropylammonium hydroxide4499-86-9Salt Tetrapropylammonium bromide1941-30-6Salt Tetrapropylammonium iodide631-40-3Salt N,N,N-Tripropylpropan-1-aminium fluoride7217-93-8Salt Tetrapropylammonium hydrogen sulfate56211-70-2Salt

Similar compounds

Tetrabutylammonium chloride1112-67-067 % similar Tetrapentylammonium chloride4965-17-763 % similar Tetrabutyl ammonium chloride hydrate37451-68-657 % similar Tetrapropylammonium perruthenate114615-82-655 % similar Benzyltripropylammonium chloride5197-87-550 % similar Methyltributylammonium chloride56375-79-245 % similar Tetraethylammonium chloride56-34-844 % similar Tetrabutylammonium bromide1643-19-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dodecylammonium chloride929-73-7

Elsewhere

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