chempirical

Sodium hepes

C8H17N2NaO4SCAS 75277-39-3260.28 g/mol

Open in Covalent MOL file
O−SOONNOHNa+
AlcoholSulfonic acidTertiary amine

Properties

Molecular formula
C8H17N2NaO4S
Molar mass
260.28 g/mol
Exact mass
260.0807 Da
logP
-1.90Crippen estimate
Polar surface area
81.1 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5

Identifiers

CAS number
75277-39-3
SMILES
[O-]S(=O)(=O)CCN1CCN(CCO)CC1.[Na+]
InChIKey
VFXZKNGPBLVKPC-UHFFFAOYSA-N
InChI
InChI=1S/C8H18N2O4S.Na/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14;/h11H,1-8H2,(H,12,13,14);

Weigh it out

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

Names and synonyms

5 names
  • 1-Piperazineethanesulfonic acid, 4-(2-hydroxyethyl)-, sodium salt (1:1)
  • 1-Piperazineethanesulfonic acid, 4-(2-hydroxyethyl)-, monosodium salt
  • HEPES sodium salt
  • WAS-14
  • 4-(2-Hydroxyethyl)-1-piperazineethanesulfonic acid sodium salt

Work with Sodium hepes

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

Similar compounds

Sodium pipesate76836-02-778 % similar Sodium 1,4-piperazinediethanesulfonate (3:2)100037-69-267 % similar Sodium 1,4-piperazinediethanesulfonate (1:1)10010-67-067 % similar Sodium 2-hydroxyethyl sulfonate1562-00-162 % similar Sodium 2-(N-morpholino)ethanesulfonate71119-23-861 % similar Dipotassium piperazine-1,4-bis(2-ethanesulfonate)108321-27-360 % similar 3-[N,N-Bis(hydroxyethyl)amino]-2-hydroxypropanesulphonic acid sodium salt102783-62-055 % similar Hepes7365-45-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook