chempirical

Hepes

C8H18N2O4SCAS 7365-45-9238.30 g/mol

Open in Covalent MOL file
OSOOHNNOH
AlcoholSulfonic acidTertiary amine

Properties

Molecular formula
C8H18N2O4S
Molar mass
238.30 g/mol
Exact mass
238.0987 Da
Melting point
234 °C
logP
-1.52Crippen estimate
Polar surface area
81.1 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5

Identifiers

CAS number
7365-45-9
SMILES
O=S(=O)(O)CCN1CCN(CCO)CC1
InChIKey
JKMHFZQWWAIEOD-UHFFFAOYSA-N
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)

Weigh it out

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

Names and synonyms

16 names · show all
  • 1-Piperazineethanesulfonic acid, 4-(2-hydroxyethyl)-
  • 4-(2-Hydroxyethyl)-1-piperazineethanesulfonic acid
  • N-2-Hydroxyethylpiperazino-N′-2-ethanesulfonic acid
  • N-(2-Hydroxyethyl)piperazine-N′-2-ethanesulfonic acid
  • N-(2-Hydroxyethyl)piperazine-N′-2′-ethanesulfonic acid
  • 1-[4-(2-Hydroxyethyl)-1-piperazinyl]ethane-2-sulfonic acid
  • 2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
  • N-(2-Hydroxyethyl)piperazine-N′-ethanesulfonic acid
  • 2-[4-(2-Hydroxyethyl)piperazinyl]ethanesulfonic acid
  • N′-2-Hydroxyethylpiperazine-N-2-ethanesulfonic acid
  • WAS 13
  • TVZ 7
  • NSC 166663
  • N′-(2-Hydroxyethyl)piperazine-N-(2-ethanesulfonic acid)
  • 4-(2-Hydroxyethyl)piperazine-1-(2-ethanesulfonic acid)
  • 2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethane-1-sulfonic acid

Work with 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

N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid10191-18-196 % similar Pipes5625-37-678 % similar Hepps (buffer)16052-06-578 % similar Mes (buffer)4432-31-959 % similar Isethionic acid107-36-856 % similar N-2-Hydroxyethylpiperazine-N′-2-hydroxypropanesulfonic acid68399-78-056 % similar Sodium 1,4-piperazinediethanesulfonate (3:2)100037-69-255 % similar Sodium 1,4-piperazinediethanesulfonate (1:1)10010-67-055 % similar

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

Same formula

Burgess reagent29684-56-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia