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DAOS

CAT: 0931-T19271-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T19271-01Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
83777-30-4
Target
Others
Related Pathways
Others
Purity
0.986
Bioactivity
DAOS (Sodium 3- ((3,5-dimethoxyphenyl) (ethyl) amino) -2-hydroxypropane-1-sulfonate), Trinder's reagent, is a new type of highly water-soluble aniline derivative. It is widely used in diagnostic tests and biochemical tests.
Smiles
[Na+].CCN(CC(O)CS([O-])(=O)=O)c1cc(OC)cc(OC)c1
Molecular Formula
C13H20NNaO6S
Molecular Weight
341.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline

reagent to determine serum total & esterified cholesterol

CAS Number83777-30-4
PubChem CID23677928
IUPAC Namesodium 3-(N-ethyl-3,5-dimethoxyanilino)-2-hydroxypropane-1-sulfonate
Molecular FormulaC13H20NNaO6S
Molecular Weight341.36
Topological Polar Surface Area108
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count22
Formal Charge0
Complexity390
SMILES
CCN(CC(CS(=O)(=O)[O-])O)C1=CC(=CC(=C1)OC)OC.[Na+]
InChI
InChI=1S/C13H21NO6S.Na/c1-4-14(8-11(15)9-21(16,17)18)10-5-12(19-2)7-13(6-10)20-3;/h5-7,11,15H,4,8-9H2,1-3H3,(H,16,17,18);/q;+1/p-1
InChIKey
HDARHUHTZKLJET-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline
CAS: 83777-30-4
CID: 23677928
Formula: C13H20NNaO6S
MW: 341.36
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight341.36
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass341.09090281
Monoisotopic Mass341.09090281
Topological Polar Surface Area108 Ų
Heavy Atom Count22
Formal Charge0
Complexity390
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes