N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid

C₆H₁₅NO₅SCAS 10191-18-1213.25 g/mol

Open in Covalent MOL file

Alcohol Sulfonic acid Tertiary amine

Properties

Molecular formula: C₆H₁₅NO₅S
Molar mass: 213.25 g/mol
Exact mass: 213.0671 Da
Melting point: 150–151 °C
logP: -1.84Crippen estimate
Polar surface area: 98.1 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 7

Hazards

Warning

H315 Causes skin irritation74.2% of notifiers
H319 Causes serious eye irritation74.2% of notifiers
H335 May cause respiratory irritation72.2% of notifiers

Aggregated from 97 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

10191-18-1

SMILES

O=S(=O)(O)CCN(CCO)CCO

InChIKey

AJTVSSFTXWNIRG-UHFFFAOYSA-N

InChI

InChI=1S/C6H15NO5S/c8-4-1-7(2-5-9)3-6-13(10,11)12/h8-9H,1-6H2,(H,10,11,12)

Weigh it out

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

Names and synonyms

8 names

Ethanesulfonic acid, 2-[bis(2-hydroxyethyl)amino]-
Taurine, N,N-bis(2-hydroxyethyl)-
2-[Bis(2-hydroxyethyl)amino]ethanesulfonic acid
BES
BES (buffering agent)
N,N-Bis(2-hydroxyethyl)taurine
NSC 166667
2-(Bis(2-hydroxyethyl)amino)ethanesulphonic acid

Work with N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid

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.

Sodium 2-(bis(2-hydroxyethyl)amino)ethane-1-sulfonate66992-27-6Salt

Similar compounds

HEPES7365-45-996 % similar Hepps (buffer)16052-06-574 % similar PIPES5625-37-674 % similar 4-(2-Hydroxyethyl)thiomorpholine 1,1-dioxide26475-62-762 % similar Mes (buffer)4432-31-961 % similar Isethionic acid107-36-858 % similar N-2-Hydroxyethylpiperazine-N′-2-hydroxypropanesulfonic acid68399-78-053 % similar Ammonium isethionate57267-78-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(N-Morpholino)ethanesulfonic acid hydrate145224-94-8

Elsewhere

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