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Dansyl Acid-d6

CAT: 0572-TRC-D172862-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D172862-25MGSize:25 mg
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CAS Number
1329836-02-3
Synonyms
5-Dimethylaminonaphthalene-1-sulfonic Acid-d6; 5-(Dimethylamino)-1-naphthalenesulfonic Acid-d6;
Hazard Statement
No Data Available
Smiles
[2H]C([2H])([2H])N(c1cccc2c(cccc12)S(=O)(=O)O)C([2H])([2H])[2H]
Molecular Formula
C12H7D6NO3S
Molecular Weight
257.34
Shipping Conditions
Room Temperature

Chemical Information

Dansyl Acid-d6
CAS Number1329836-02-3
PubChem CID71315168
IUPAC Name5-[bis(trideuteriomethyl)amino]naphthalene-1-sulfonic acid
Molecular FormulaC12H13NO3S
Molecular Weight257.34
XLogP2.2
Topological Polar Surface Area66
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity360
SMILES
[2H]C([2H])([2H])N(C1=CC=CC2=C1C=CC=C2S(=O)(=O)O)C([2H])([2H])[2H]
InChI
InChI=1S/C12H13NO3S/c1-13(2)11-7-3-6-10-9(11)5-4-8-12(10)17(14,15)16/h3-8H,1-2H3,(H,14,15,16)/i1D3,2D3
InChIKey
BBEQQKBWUHCIOU-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of Dansyl Acid-d6
CAS: 1329836-02-3
CID: 71315168
Formula: C12H13NO3S
MW: 257.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight257.34
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass257.09927493
Monoisotopic Mass257.09927493
Topological Polar Surface Area66 Ų
Heavy Atom Count17
Formal Charge0
Complexity360
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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