Tetrabutylammonium nitrate

C16H36N2O3CAS 1941-27-1304.47 g/mol

Open in Covalent MOL file
N+ON+O−O−
NitroQuaternary ammonium

Properties

Molecular formula
C16H36N2O3
Molar mass
304.47 g/mol
Exact mass
304.2726 Da
logP
4.76Crippen estimate
Polar surface area
66.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
12

Hazards

Danger
Oxidizer (GHS03)Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P220, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P501

Identifiers

CAS number
1941-27-1
SMILES
CCCC[N+](CCCC)(CCCC)CCCC.O=[N+]([O-])[O-]
InChIKey
QHOKENWFMZXSEU-UHFFFAOYSA-N
InChI
InChI=1S/C16H36N.NO3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3)4/h5-16H2,1-4H3;/q+1;-1

Weigh it out

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

Names and synonyms

5 names
  • 1-Butanaminium, N,N,N-tributyl-, nitrate (1:1)
  • Ammonium, tetrabutyl-, nitrate
  • 1-Butanaminium, N,N,N-tributyl-, nitrate
  • NSC 221165
  • Tetra-n-butylammonium nitrate

Work with Tetrabutylammonium nitrate

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.

Tetra-n-butylammonium iodide311-28-4Salt Tetra-n-butylammonium fluoride429-41-4Salt Tetrabutylammonium bromide1643-19-2Salt Tetrabutylammonium chloride1112-67-0Salt Tetrabutylammonium hexafluorophosphate3109-63-5Salt Tetrabutylammonium hydroxide2052-49-5Salt Tetrabutylammonium tribromide38932-80-8Salt Tetrabutylammonium tetrafluoroborate429-42-5Salt Tetrabutylammonium borohydride33725-74-5Salt Tetrabutylammonium hydrogen sulfate32503-27-8Salt Tetrabutylammonium perchlorate1923-70-2Salt Tetrabutylammonium acetate10534-59-5Salt

Similar compounds

Tetraethylammonium nitrate1941-26-054 % similar Tetrapentylammonium iodide2498-20-644 % similar Tetrapentylammonium chloride4965-17-744 % similar Tetramethylammonium nitrate1941-24-844 % similar Tetraoctylammonium bromide14866-33-243 % similar Tetradecylammonium bromide14937-42-943 % similar Tetrahexylammonium iodide2138-24-143 % similar Tetraheptylammonium iodide3535-83-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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