Molecule ID: 73243

IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanesulfonic acid

Description: The molecule is a Good's buffer substance, pKa = 7.15 at 20 鈩? It is a BES and an amino sulfonic acid. 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.

SMILES: O=S(=O)(O)CCN(CCO)CCO

SELFIES: [O][=S][=Branch1][C][=O][Branch1][C][O][C][C][N][Branch1][Ring2][C][C][O][C][C][O]

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)

Molecular Properties:
- Polar Surface Area: 106.0 Ų
- LogP: -4.5