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102029-60-7 | 1-Propanesulfonic acid, 2-hydroxy-3-[(2-hydroxy-1,1-dimethylethyl)amino]-, sodium salt (1:1)
CAS No: 102029-60-7 Catalog No: AG0006ED MDL No:MFCD00067500
Product Description
Catalog Number:
AG0006ED
Chemical Name:
1-Propanesulfonic acid, 2-hydroxy-3-[(2-hydroxy-1,1-dimethylethyl)amino]-, sodium salt (1:1)
CAS Number:
102029-60-7
Molecular Formula:
C7H16NNaO5S
Molecular Weight:
249.2604
MDL Number:
MFCD00067500
IUPAC Name:
sodium;2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propane-1-sulfonate
InChI:
InChI=1S/C7H17NO5S.Na/c1-7(2,5-9)8-3-6(10)4-14(11,12)13;/h6,8-10H,3-5H2,1-2H3,(H,11,12,13);/q;+1/p-1
InChI Key:
UVGYCHPTWHWEPZ-UHFFFAOYSA-M
SMILES:
OCC(NCC(CS(=O)(=O)[O-])O)(C)C.[Na+]
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.065g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
249.257g/mol
Monoisotopic Mass:
249.065g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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