2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid


Chemical Name: 2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid
CAS Number: 68399-78-0
Product Number: AG00IBTZ(AGN-PC-0JLC2H)
Synonyms:
MDL No: MFCD00038351
Molecular Formula: C9H20N2O5S
Molecular Weight: 268.3305

Identification/Properties


Computed Properties
Molecular Weight:
268.328g/mol
XLogP3:
-4.6
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
6
Exact Mass:
268.109g/mol
Monoisotopic Mass:
268.109g/mol
Topological Polar Surface Area:
110A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
308
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301-H315-H319-H335
Precautionary Statements:
P261-P301+P310-P305+P351+P338
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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