2-(Trimethyl-lambda(5)-azanyl)ethanesulfonic acid

HCID 414352

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Basic information

CAS: 7465-57-8
Standard SMILES: C[N+](C)(C)CCS(=O)(=O)O
InChIKey: BXYUEGANNHFECO-UHFFFAOYSA-O
Molecular formula: C5H14NO3S+
Average molar mass: 168.24 g/mol
Monoisotopic mass: 168.06943948

Names & identifiers

Preferred name: 2-(Trimethyl-lambda(5)-azanyl)ethanesulfonic acid
IUPAC: trimethyl(2-sulfoethyl)azanium

Names & synonyms

2-(Trimethyl-lambda(5)-azanyl)ethanesulfonic acidNSC 578267465-57-8DTXSID70225627RefChem:254951DTXCID00148118NSC57826SCHEMBL5551133trimethyl(2-sulfoethyl)ammoniumN,N,N-Trimethyl-2-sulfoethan-1-aminium2-(Trimethyl-.lambda.~5~-azanyl)ethanesulfonic acid

Database identifiers

CAS: 7465-57-8
PubChem CID: 414352
DTXSID: DTXSID70225627

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 62.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 1
Complexity: 184

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