Home Sulfos 1-Butanesulfonic acid, 4,4'-[(3,5-dimethylphenyl)imino]bis-, sodium salt (1:2)

1-Butanesulfonic acid, 4,4'-[(3,5-dimethylphenyl)imino]bis-, sodium salt (1:2)

CAS No.:
209518-16-1
Catalog Number:
AG002KA7
Molecular Formula:
C16H25NNa2O6S2
Molecular Weight:
437.4823
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Product Description
Catalog Number:
AG002KA7
Chemical Name:
1-Butanesulfonic acid, 4,4'-[(3,5-dimethylphenyl)imino]bis-, sodium salt (1:2)
CAS Number:
209518-16-1
Molecular Formula:
C16H25NNa2O6S2
Molecular Weight:
437.4823
MDL Number:
MFCD09038767
IUPAC Name:
disodium;4-[3,5-dimethyl-N-(4-sulfonatobutyl)anilino]butane-1-sulfonate
InChI:
InChI=1S/C16H27NO6S2.2Na/c1-14-11-15(2)13-16(12-14)17(7-3-5-9-24(18,19)20)8-4-6-10-25(21,22)23;;/h11-13H,3-10H2,1-2H3,(H,18,19,20)(H,21,22,23);;/q;2*+1/p-2
InChI Key:
SXHBILQYQWZSIW-UHFFFAOYSA-L
SMILES:
Cc1cc(cc(c1)C)N(CCCCS(=O)(=O)[O-])CCCCS(=O)(=O)[O-].[Na+].[Na+]
Properties
Complexity:
502  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.092g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
437.477g/mol
Monoisotopic Mass:
437.092g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties