chempirical

Tetrapentylammonium chloride

C20H44ClNCAS 4965-17-7334.03 g/mol

Open in Covalent MOL file
N+Cl−
Quaternary ammonium

Properties

Molecular formula
C20H44ClN
Molar mass
334.03 g/mol
Exact mass
333.3162 Da
logP
3.57Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
16

Identifiers

CAS number
4965-17-7
SMILES
CCCCC[N+](CCCCC)(CCCCC)CCCCC.[Cl-]
InChIKey
SXAWRMKQZKPHNJ-UHFFFAOYSA-M
InChI
InChI=1S/C20H44N.ClH/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1

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

Names and synonyms

5 names
  • 1-Pentanaminium, N,N,N-tripentyl-, chloride (1:1)
  • Ammonium, tetrapentyl-, chloride
  • 1-Pentanaminium, N,N,N-tripentyl-, chloride
  • Tetra-n-amylammonium chloride
  • Tetraamylammonium chloride

Work with Tetrapentylammonium 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

Similar compounds

Tetrabutylammonium chloride1112-67-083 % similar Tetrapentylammonium iodide2498-20-670 % similar Tetraoctylammonium bromide14866-33-267 % similar Tetradecylammonium bromide14937-42-967 % similar Tetrahexylammonium iodide2138-24-167 % similar Tetraheptylammonium iodide3535-83-967 % similar Tetrahexylammonium bromide4328-13-667 % similar Tetraheptylammonium bromide4368-51-867 % similar

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

Same formula

Octyldecyldimethylammonium chloride32426-11-2

Elsewhere

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