HEPES

Chemical Information
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid is a HEPES that is ethanesulfonic acid in which one of the methyl hydrogens is replaced by a 4-(2-hydroxyethyl)piperazin-1-yl group. A Good's buffer substance, pKa = 7.55 at 20 C. It is an organosulfonic acid and a HEPES. It is a conjugate acid of a 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate. It is a tautomer of a 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate.
| CAS Number | 7365-45-9 |
| PubChem CID | 23831 |
| IUPAC Name | 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid |
| Molecular Formula | C8H18N2O4S |
| Molecular Weight | 238.31 |
| XLogP | -4 |
| Topological Polar Surface Area | 89.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 267 |
| Property | Value |
|---|---|
| Molecular Weight | 238.31 |
| XLogP3 | -4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 238.09872823 |
| Monoisotopic Mass | 238.09872823 |
| Topological Polar Surface Area | 89.5 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 267 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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