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


Chemical Name: 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propane-1-sulfonic acid;sodium
CAS Number: 91000-53-2
Product Number: AG00IGE8(AGN-PC-00US1L)
Synonyms:
MDL No: MFCD00069903
Molecular Formula: C7H16NNaO6S
Molecular Weight: 265.2598

Identification/Properties


Computed Properties
Molecular Weight:
265.256g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
8
Exact Mass:
265.06g/mol
Monoisotopic Mass:
265.06g/mol
Topological Polar Surface Area:
138A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
252
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:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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