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HEPES Buffer extrapure, 99%

CAT: 0565-63732-01Size: 25 gDry Ice: NoHazardous: No
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Description
Part B
CAS Number
7365-45-9
Storage Temperature
Room Temperature

Chemical Information

4-(2-Hydroxyethyl)-1-piperazineethanesulfonic acid

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 Number7365-45-9
PubChem CID23831
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
Molecular FormulaC8H18N2O4S
Molecular Weight238.31
XLogP-4
Topological Polar Surface Area89.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity267
SMILES
C1CN(CCN1CCO)CCS(=O)(=O)O
InChI
InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
InChIKey
JKMHFZQWWAIEOD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Hydroxyethyl)-1-piperazineethanesulfonic acid
CAS: 7365-45-9
CID: 23831
Formula: C8H18N2O4S
MW: 238.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight238.31
XLogP3-4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass238.09872823
Monoisotopic Mass238.09872823
Topological Polar Surface Area89.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity267
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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