2-(Bis(2-hydroxyethyl)amino)ethanesulphonic acid

HCID 73243CAS 10191-18-1

Substructure search Find similar structures

Basic information

Standard SMILES: O=S(=O)(O)CCN(CCO)CCO
InChIKey: AJTVSSFTXWNIRG-UHFFFAOYSA-N
Molecular formula: C6H15NO5S
Average molar mass: 213.25 g/mol
Monoisotopic mass: 213.06709358

Overview

2-[bis(2-hydroxyethyl)amino]ethanesulfonic acid is a Good's buffer substance, pKa = 7.15 at 20 C. It is an amino sulfonic acid and a BES. It is a conjugate acid of a 2-[bis(2-hydroxyethyl)amino]ethanesulfonate. It is a tautomer of a 2-[bis(2-hydroxyethyl)ammonio]ethanesulfonate.

Names & identifiers

Preferred name: 2-(Bis(2-hydroxyethyl)amino)ethanesulphonic acid
IUPAC: 2-[bis(2-hydroxyethyl)amino]ethanesulfonic acid

Names & synonyms

Ethanesulfonic acid, 2-[bis(2-hydroxyethyl)amino]-2-(Bis(2-hydroxyethyl)amino)ethanesulphonic acidEthanesulfonic acid, 2-(bis(2-hydroxyethyl)amino)-DTXSID80649852-[bis(2-hydroxyethyl)amino]ethanesulphonic acidRefChem:459873DTXCID0032659Ethanesulfonic acid, 2-bis(2-hydroxyethyl)amino-233-465-510191-18-1N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acidBES

Show more names

2-[Bis(2-Hydroxyethyl)amino]ethanesulfonic acidN,N-Bis(hydroxyethyl)-2-aminoethanesulfonic acidN,N-Bis(2-hydroxyethyl)taurine2-(Bis(2-hydroxyethyl)amino)ethanesulfonic acidTaurine, N,N-bis(2-hydroxyethyl)-NSC 1666672-(Bis(2-Hydroxyethyl)Amino)-EthanesulfonicacidMFCD00007533

Database identifiers

CAS: 10191-18-1
PubChem CID: 73243
DTXSID: DTXSID8064985
ChEBI: CHEBI:39041
EC Number: 233-465-5
Nikkaji: J43.060I

Properties

Computed structural properties

XLogP: -4.5
Topological polar surface area: 106 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 13
Formal charge: 0
Complexity: 204

Experimental & physicochemical properties

Chemical ClassesOther Uses -> Biological Buffers

Physical DescriptionWhite powder; [Alfa Aesar MSDS]

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 25.8% (25 of 97) of reports.

Warning

H315 (74.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 97 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.