chempirical

Tetramethylammonium hydrogen sulfate monohydrate

C4H15NO5SCAS 103812-00-6189.23 g/mol

Open in Covalent MOL file
N+H2OOSOO−OH
Quaternary ammonium

Properties

Molecular formula
C4H15NO5S
Molar mass
189.23 g/mol
Exact mass
189.0671 Da
logP
-1.50Crippen estimate
Polar surface area
108.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
103812-00-6
SMILES
C[N+](C)(C)C.O.O=S(=O)([O-])O
InChIKey
VSJXNAHOWBCQRE-UHFFFAOYSA-M
InChI
InChI=1S/C4H12N.H2O4S.H2O/c2*1-5(2,3)4;/h1-4H3;(H2,1,2,3,4);1H2/q+1;;/p-1

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Names and synonyms

2 names
  • Methanaminium, N,N,N-trimethyl-, sulfate, hydrate (1:1:1)
  • Methanaminium, N,N,N-trimethyl-, sulfate (1:1), monohydrate

Work with Tetramethylammonium hydrogen sulfate monohydrate

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 sulfate80526-82-585 % similar Sodium bisulfate monohydrate10034-88-565 % similar Sulfuric acid, sodium salt15124-09-152 % similar Potassium bisulfate7646-93-752 % similar Sodium bisulfate7681-38-152 % similar Tetraethylammonium hydrogen sulfate16873-13-552 % similar Tetrapropylammonium hydrogen sulfate56211-70-248 % similar Tetrabutylammonium hydrogen sulfate32503-27-845 % similar

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

Elsewhere

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