Home Sulfos N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3,5-dimethylaniline sodium salt monohydrate

N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3,5-dimethylaniline sodium salt monohydrate

CAS No.:
82692-97-5
Catalog Number:
AG00G24M
Molecular Formula:
C13H20NNaO4S
Molecular Weight:
309.3570
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Product Description
Catalog Number:
AG00G24M
Chemical Name:
N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3,5-dimethylaniline sodium salt monohydrate
CAS Number:
82692-97-5
Molecular Formula:
C13H20NNaO4S
Molecular Weight:
309.3570
MDL Number:
MFCD27977905
IUPAC Name:
sodium;3-(N-ethyl-3,5-dimethylanilino)-2-hydroxypropane-1-sulfonate
InChI:
InChI=1S/C13H21NO4S.Na/c1-4-14(8-13(15)9-19(16,17)18)12-6-10(2)5-11(3)7-12;/h5-7,13,15H,4,8-9H2,1-3H3,(H,16,17,18);/q;+1/p-1
InChI Key:
HLXGRHNZZSMNRX-UHFFFAOYSA-M
SMILES:
CCN(c1cc(C)cc(c1)C)CC(CS(=O)(=O)[O-])O.[Na+]
Properties
Complexity:
361  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.101g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
309.356g/mol
Monoisotopic Mass:
309.101g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties