Ammonium isethionate

C₂H₉NO₄SCAS 57267-78-4143.16 g/mol

Open in Covalent MOL file

Alcohol Sulfonic acid

Properties

Molecular formula: C₂H₉NO₄S
Molar mass: 143.16 g/mol
Exact mass: 143.0252 Da
Melting point: 137–138 °C
logP: -0.97Crippen estimate
Polar surface area: 109.6 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation27.4% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation72.6% of notifiers

Aggregated from 146 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

57267-78-4

SMILES

N.O=S(=O)(O)CCO

InChIKey

LLOHIFXFHGMBNO-UHFFFAOYSA-N

InChI

InChI=1S/C2H6O4S.H3N/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Ethanesulfonic acid, 2-hydroxy-, ammonium salt (1:1)
Ethanesulfonic acid, 2-hydroxy-, monoammonium salt

Work with Ammonium isethionate

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.

Isethionic acid107-36-8Free acid Sodium 2-hydroxyethyl sulfonate1562-00-1Salt Pentamidine isethionate140-64-7Salt Hexamidine diisethionate659-40-5Salt Palbociclib isethionate827022-33-3Salt

Similar compounds

Ethanedisulfonic acid110-04-355 % similar N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid10191-18-152 % similar 1,3-Propanedisulfonic acid21668-77-950 % similar 1,4-Butanedisulfonic acid27665-39-050 % similar HEPES7365-45-950 % similar Hepps (buffer)16052-06-547 % similar Taurine107-35-744 % similar Bromoethanesulfonic acid26978-65-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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