chempirical

Tetramethylammonium hydrogen sulfate

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

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

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

Work with Tetramethylammonium 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

Similar compounds

Tetramethylammonium hydrogen sulfate monohydrate103812-00-685 % 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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