Tetramethylammonium hydrogen sulfate monohydrate

C4H15NO5SCAS 103812-00-6189.23 g/mol

Open in Covalent MOL file
N+H2OOSOO−HO
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

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
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

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, 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

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 sulfate14190-16-0Anhydrous Tetramethylammonium hydrogen sulphate80526-82-5Anhydrous 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

Similar compounds

Sodium bisulfate monohydrate10034-88-565 % similar Ammonium copper(II) sulfate hexahydrate13587-26-358 % similar Basic copper sulfate1344-73-652 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook