Home Sulfos N-(2-Hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt

N-(2-Hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt

CAS No.:
82692-88-4
Catalog Number:
AG008JXU
Molecular Formula:
C11H16NNaO6S
Molecular Weight:
313.3026
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$75
- +
5g
95%
In Stock USA
United States
$178
- +
25g
95%
In Stock USA
United States
$592
- +
Product Description
Catalog Number:
AG008JXU
Chemical Name:
N-(2-Hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt
CAS Number:
82692-88-4
Molecular Formula:
C11H16NNaO6S
Molecular Weight:
313.3026
MDL Number:
MFCD00063425
IUPAC Name:
sodium;3-(3,5-dimethoxyanilino)-2-hydroxypropane-1-sulfonate
InChI:
InChI=1S/C11H17NO6S.Na/c1-17-10-3-8(4-11(5-10)18-2)12-6-9(13)7-19(14,15)16;/h3-5,9,12-13H,6-7H2,1-2H3,(H,14,15,16);/q;+1/p-1
InChI Key:
SVLRFMQGKVFRTB-UHFFFAOYSA-M
SMILES:
COc1cc(NCC(CS(=O)(=O)[O-])O)cc(c1)OC.[Na+]
Properties
Complexity:
348  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.06g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
313.3g/mol
Monoisotopic Mass:
313.06g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties