chempirical

Tetramethylammonium hydrogen sulphate

C4H13NO4SCAS 80526-82-5171.21 g/mol

Open in Covalent MOL file
N+OSOO−OH
Quaternary ammonium

Properties

Molecular formula
C4H13NO4S
Molar mass
171.21 g/mol
Exact mass
171.0565 Da
logP
-0.67Crippen estimate
Polar surface area
77.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
80526-82-5
SMILES
C[N+](C)(C)C.O=S(=O)([O-])O
InChIKey
DWTYPCUOWWOADE-UHFFFAOYSA-M
InChI
InChI=1S/C4H12N.H2O4S/c2*1-5(2,3)4/h1-4H3;(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

3 names
  • Tetramethylammonium hydrogen sulfate
  • Methanaminium, N,N,N-trimethyl-, sulfate (1:1)
  • Tetramethylammonium bisulfate

Work with Tetramethylammonium hydrogen sulphate

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.

Tetramethylammonium hydrogen sulfate monohydrate103812-00-6Hydrate Tetramethylammonium hydroxide75-59-2Salt Tetramethylammonium chloride75-57-0Salt Tetramethylammonium fluoride373-68-2Salt Tetramethylammonium perchlorate2537-36-2Salt Tetramethylammonium tetrafluoroborate661-36-9Salt Tetramethylammonium hexafluorophosphate558-32-7Salt Tetramethylammonium iodide75-58-1Salt Tetramethylammonium bromide64-20-0Salt Tetramethylammonium hydroxide pentahydrate10424-65-4Salt Tetramethylammonium nitrate1941-24-8Salt Tetramethylammonium acetate10581-12-1Salt

Similar compounds

Basic copper sulfate1344-73-660 % similar Sulfuric acid, sodium salt15124-09-160 % similar Potassium bisulfate7646-93-760 % similar Sodium bisulfate7681-38-160 % similar Tetraethylammonium hydrogen sulfate16873-13-558 % similar Tetrapropylammonium hydrogen sulfate56211-70-254 % similar Sodium bisulfate monohydrate10034-88-552 % similar Tetrabutylammonium hydrogen sulfate32503-27-850 % similar

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

Elsewhere

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