2-(N-Morpholino)ethanesulfonic acid hydrate

C₆H₁₅NO₅SCAS 145224-94-8213.25 g/mol

Open in Covalent MOL file

Ether Sulfonic acid Tertiary amine

Properties

Molecular formula: C₆H₁₅NO₅S
Molar mass: 213.25 g/mol
Exact mass: 213.0671 Da
logP: -1.62Crippen estimate
Polar surface area: 98.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 96 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

145224-94-8

SMILES

O.O=S(=O)(O)CCN1CCOCC1

InChIKey

MIIIXQJBDGSIKL-UHFFFAOYSA-N

InChI

InChI=1S/C6H13NO4S.H2O/c8-12(9,10)6-3-7-1-4-11-5-2-7;/h1-6H2,(H,8,9,10);1H2

Weigh it out

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

Names and synonyms

3 names

4-Morpholineethanesulfonic acid, hydrate (1:1)
4-Morpholineethanesulfonic acid, monohydrate
4-Morpholineethanesulfonic acid hydrate (1:1)

Work with 2-(N-Morpholino)ethanesulfonic acid hydrate

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.

Mes (buffer)4432-31-9Anhydrous Sodium 2-(N-morpholino)ethanesulfonate71119-23-8Salt 2-(N-Morpholino)ethanesulfonic acid potassium39946-25-3Salt

Similar compounds

MOPS1132-61-270 % similar PIPES5625-37-663 % similar HEPES7365-45-953 % similar 2-Hydroxy-3-morpholinopropanesulfonic acid68399-77-949 % similar Sodium 1,4-piperazinediethanesulfonate (3:2)100037-69-246 % similar Sodium 1,4-piperazinediethanesulfonate (1:1)10010-67-046 % similar Dimorpholinodiethyl ether6425-39-442 % similar Hepps (buffer)16052-06-542 % similar

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

Same formula

N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid10191-18-1

Elsewhere

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