Tetrapropylammonium hydrogen sulfate

C₁₂H₂₉NO₄SCAS 56211-70-2283.43 g/mol

Open in Covalent MOL file

Quaternary ammonium

Properties

Molecular formula: C₁₂H₂₉NO₄S
Molar mass: 283.43 g/mol
Exact mass: 283.1817 Da
logP: 2.45Crippen estimate
Polar surface area: 77.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 8

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 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

56211-70-2

SMILES

CCC[N+](CCC)(CCC)CCC.O=S(=O)([O-])O

InChIKey

MOXJKKOSZCHGEU-UHFFFAOYSA-M

InChI

InChI=1S/C12H28N.H2O4S/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-5(2,3)4/h5-12H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1

Weigh it out

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

Names and synonyms

2 names

1-Propanaminium, N,N,N-tripropyl-, sulfate (1:1)
Tetrapropylammonium bisulfate

Work with Tetrapropylammonium hydrogen sulfate

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 Tetrapropylammonium chloride5810-42-4Salt N,N,N-Tripropylpropan-1-aminium fluoride7217-93-8Salt

Similar compounds

Tetrabutylammonium hydrogen sulfate32503-27-878 % similar Tetrahexylammonium hydrogen sulfate32503-34-772 % similar Tetraethylammonium hydrogen sulfate16873-13-563 % similar Methyltricaprylylammonium bisulfate59158-14-458 % similar Cetyltrimethylammonium hydrogen sulfate68214-07-358 % similar Tetramethylammonium hydrogen sulphate80526-82-554 % similar Tetramethylammonium hydrogen sulfate monohydrate103812-00-648 % similar Basic copper sulfate1344-73-646 % similar

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

Same formula

Ammonium lauryl sulfate2235-54-3

Elsewhere

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