3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propane-1-sulfonic acid


Chemical Name: 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propane-1-sulfonic acid
CAS Number: 29915-38-6
Product Number: AG003IBE(AGN-PC-0JLNL3)
Synonyms:
MDL No: MFCD00007538
Molecular Formula: C7H17NO6S
Molecular Weight: 243.2780

Identification/Properties


Properties
MP:
230-235 °C (dec.)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.6370 (estimate)
Solubility:
H2O: 1 M at 20 °C, clear, colorless
Computed Properties
Molecular Weight:
243.274g/mol
XLogP3:
-5.4
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
8
Exact Mass:
243.078g/mol
Monoisotopic Mass:
243.078g/mol
Topological Polar Surface Area:
136A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
247
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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