200,000+ products from a single source!
sales@angenechem.com
82692-96-4 | Sodium 3-(ethyl(3-methoxyphenyl);amino);-2-hydroxypropane-1-sulfonate dihydrate
CAS No: 82692-96-4 Catalog No: AG003UB1 MDL No:MFCD09261431
Product Description
Catalog Number:
AG003UB1
Chemical Name:
Sodium 3-(ethyl(3-methoxyphenyl);amino);-2-hydroxypropane-1-sulfonate dihydrate
CAS Number:
82692-96-4
Molecular Formula:
C12H22NNaO7S
Molecular Weight:
347.3603
MDL Number:
MFCD09261431
IUPAC Name:
sodium;3-(N-ethyl-3-methoxyanilino)-2-hydroxypropane-1-sulfonate;dihydrate
InChI:
InChI=1S/C12H19NO5S.Na.2H2O/c1-3-13(8-11(14)9-19(15,16)17)10-5-4-6-12(7-10)18-2;;;/h4-7,11,14H,3,8-9H2,1-2H3,(H,15,16,17);;2*1H2/q;+1;;/p-1
InChI Key:
PNGLEYLFMHGIQO-UHFFFAOYSA-M
SMILES:
CCN(c1cccc(c1)OC)CC(CS(=O)(=O)[O-])O.O.O.[Na+]
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.101g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
347.358g/mol
Monoisotopic Mass:
347.101g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.