Tetraheptylammonium bromide

C28H60BrNCAS 4368-51-8490.70 g/mol

Open in Covalent MOL file
N+Br−
Quaternary ammonium

Properties

Molecular formula
C28H60BrN
Molar mass
490.70 g/mol
Exact mass
489.3909 Da
Melting point
89–91 °C
logP
6.69Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
24

Hazards

Warning
Irritant (GHS07)

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
4368-51-8
SMILES
CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.[Br-]
InChIKey
YQIVQBMEBZGFBY-UHFFFAOYSA-M
InChI
InChI=1S/C28H60N.BrH/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4;/h5-28H2,1-4H3;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-Heptanaminium, N,N,N-triheptyl-, bromide (1:1)
  • Ammonium, tetraheptyl-, bromide
  • 1-Heptanaminium, N,N,N-triheptyl-, bromide
  • Tetra(n-heptyl)ammonium bromide

Work with Tetraheptylammonium bromide

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.

Tetraheptylammonium iodide3535-83-9Salt

Similar compounds

Tetraoctylammonium bromide14866-33-2100 % similar Tetradecylammonium bromide14937-42-9100 % similar Tetrahexylammonium bromide4328-13-6100 % similar Tetrabutylammonium bromide1643-19-279 % similar Tetrahexylammonium iodide2138-24-171 % similar Tetrapentylammonium iodide2498-20-667 % similar Tetrapentylammonium chloride4965-17-767 % similar Dodecyltrimethylammonium bromide1119-94-465 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook