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Home Sulfos sodium 2-[(diethylamino)methyl]benzene-1-sulfonate

sodium 2-[(diethylamino)methyl]benzene-1-sulfonate

CAS No.:
1394040-54-0
Catalog Number:
AG01A032
Molecular Formula:
C11H16NNaO3S
Molecular Weight:
265.3044
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Product Description
Catalog Number:
AG01A032
Chemical Name:
sodium 2-[(diethylamino)methyl]benzene-1-sulfonate
CAS Number:
1394040-54-0
Molecular Formula:
C11H16NNaO3S
Molecular Weight:
265.3044
MDL Number:
MFCD22378609
IUPAC Name:
sodium;2-(diethylaminomethyl)benzenesulfonate
InChI:
InChI=1S/C11H17NO3S.Na/c1-3-12(4-2)9-10-7-5-6-8-11(10)16(13,14)15;/h5-8H,3-4,9H2,1-2H3,(H,13,14,15);/q;+1/p-1
InChI Key:
ZUQIRSNZBVAHFC-UHFFFAOYSA-M
SMILES:
CCN(Cc1ccccc1S(=O)(=O)[O-])CC.[Na+]
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.075g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.303g/mol
Monoisotopic Mass:
265.075g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties