chempirical

N-2-Hydroxyethylpiperazine-N′-2-hydroxypropanesulfonic acid

C9H20N2O5SCAS 68399-78-0268.33 g/mol

Open in Covalent MOL file
OSOHOHONNOH
AlcoholSulfonic acidTertiary amine

Properties

Molecular formula
C9H20N2O5S
Molar mass
268.33 g/mol
Exact mass
268.1093 Da
logP
-2.15Crippen estimate
Polar surface area
101.3 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
6

Identifiers

CAS number
68399-78-0
SMILES
O=S(=O)(O)CC(O)CN1CCN(CCO)CC1
InChIKey
GIZQLVPDAOBAFN-UHFFFAOYSA-N
InChI
InChI=1S/C9H20N2O5S/c12-6-5-10-1-3-11(4-2-10)7-9(13)8-17(14,15)16/h9,12-13H,1-8H2,(H,14,15,16)

Weigh it out

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

Names and synonyms

6 names
  • 1-Piperazinepropanesulfonic acid, β-hydroxy-4-(2-hydroxyethyl)-
  • β-Hydroxy-4-(2-hydroxyethyl)-1-piperazinepropanesulfonic acid
  • HEPPSO
  • NSC 374113
  • 2-Hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid
  • 2-Hydroxy-3-(4-(2-hydroxyethyl)piperazin-1-yl)propane-1-sulfonicacid

Work with N-2-Hydroxyethylpiperazine-N′-2-hydroxypropanesulfonic acid

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

3-[Bis(2-hydroxyethyl)amino]-2-hydroxypropanesulfonic acid68399-80-493 % similar Piperazine-N,N′-bis(2-hydroxypropanesulfonic acid)68189-43-580 % similar 2-Hydroxy-3-morpholinopropanesulfonic acid68399-77-964 % similar Hepes7365-45-956 % similar 3-[N,N-Bis(hydroxyethyl)amino]-2-hydroxypropanesulphonic acid sodium salt102783-62-055 % similar N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid10191-18-153 % similar Hepps (buffer)16052-06-553 % similar Pipes5625-37-641 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook