Products for Research Use Only

HEPPSO

CAT: 0862-GB2637-500gSize: 500 gDry Ice: NoHazardous: Yes
Product image 1
1 / 1
CAT#:0862-GB2637-500gSize:500 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
68399-78-0
UN Code
2811
MDL Number
MFCD00038351
HS Code
2933599500
Purity
98.00%
Molecular Formula
C9H20N2O5S
Molecular Weight
268.33 (anhydrous)
Storage Conditions
+20°C
Hazardous Class
True

Chemical Information

1-Piperazinepropanesulfonic acid, beta-hydroxy-4-(2-hydroxyethyl)-

HEPPSO is a N-(2-hydroxyethyl)piperazine and a N-(sulfoalkyl)piperazine.

CAS Number68399-78-0
PubChem CID100205
IUPAC Name2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid
Molecular FormulaC9H20N2O5S
Molecular Weight268.33
XLogP-4.6
Topological Polar Surface Area110
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count17
Formal Charge0
Complexity308
SMILES
C1CN(CCN1CCO)CC(CS(=O)(=O)O)O
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)
InChIKey
GIZQLVPDAOBAFN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Piperazinepropanesulfonic acid, beta-hydroxy-4-(2-hydroxyethyl)-
CAS: 68399-78-0
CID: 100205
Formula: C9H20N2O5S
MW: 268.33
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight268.33
XLogP3-4.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass268.10929292
Monoisotopic Mass268.10929292
Topological Polar Surface Area110 Ų
Heavy Atom Count17
Formal Charge0
Complexity308
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes