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TOPS

CAT: 0931-T19586-03Size: 2 gDry Ice: NoHazardous: No
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CAT#:0931-T19586-03Size:2 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
40567-80-4
Target
Others
Related Pathways
Others
Purity
0.9982
Bioactivity
TOPS is a Trinder's reagent and is widely used in diagnostic tests and biochemical tests.
Smiles
O=S(CCCN(CC)C1=CC=CC(C)=C1)([O-])=O.[Na+]
Molecular Formula
C12H18NNaO3S
Molecular Weight
279.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sodium 3-(N-ethyl-3-methylanilino)propanesulfonate
CAS Number40567-80-4
PubChem CID23679008
IUPAC Namesodium 3-(N-ethyl-3-methylanilino)propane-1-sulfonate
Molecular FormulaC12H18NNaO3S
Molecular Weight279.33
Topological Polar Surface Area68.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity316
SMILES
CCN(CCCS(=O)(=O)[O-])C1=CC=CC(=C1)C.[Na+]
InChI
InChI=1S/C12H19NO3S.Na/c1-3-13(8-5-9-17(14,15)16)12-7-4-6-11(2)10-12;/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,14,15,16);/q;+1/p-1
InChIKey
NJZLCEFCAHNYIR-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium 3-(N-ethyl-3-methylanilino)propanesulfonate
CAS: 40567-80-4
CID: 23679008
Formula: C12H18NNaO3S
MW: 279.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass279.09050889
Monoisotopic Mass279.09050889
Topological Polar Surface Area68.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity316
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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