Tetrapropylammonium iodide

C12H28INCAS 631-40-3313.27 g/mol

Open in Covalent MOL file
N+I−
Quaternary ammonium

Properties

Molecular formula
C12H28IN
Molar mass
313.27 g/mol
Exact mass
313.1266 Da
Melting point
280 °C (decomposes)
logP
0.45Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
8

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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
631-40-3
SMILES
CCC[N+](CCC)(CCC)CCC.[I-]
InChIKey
GKXDJYKZFZVASJ-UHFFFAOYSA-M
InChI
InChI=1S/C12H28N.HI/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

4 names
  • 1-Propanaminium, N,N,N-tripropyl-, iodide (1:1)
  • Ammonium, tetrapropyl-, iodide
  • 1-Propanaminium, N,N,N-tripropyl-, iodide
  • Tetrapropylammonium iodide (Pr4N+ I-)

Work with Tetrapropylammonium iodide

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 chloride5810-42-4Salt N,N,N-Tripropylpropan-1-aminium fluoride7217-93-8Salt Tetrapropylammonium hydrogen sulfate56211-70-2Salt

Similar compounds

Tetra-n-butylammonium iodide311-28-467 % similar Tetrapentylammonium iodide2498-20-663 % similar Tetrahexylammonium iodide2138-24-160 % similar Tetraheptylammonium iodide3535-83-960 % similar Tetrapropylammonium perruthenate114615-82-655 % similar Tetraethylammonium iodide68-05-344 % similar Tetrabutylammonium chloride1112-67-043 % similar Tetrabutylammonium bromide1643-19-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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