3-(Dansylamino)phenylboronic acid

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Product Information

Molecular Formula
C18H19BN2O4S
Molecular Weight
370.23
Description
Dual-functional dansyl fluorophore with boronic acid for saccharide detection. Used in glucose sensing and molecular recognition.
Synonyms
3-(5-Di-methyl-amino-naphtha-lene-1-sulfonyl-amino)-benzene-boronic acid; 3-(Dansylamido)benzeneboronic acid
IUPAC Name
[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid
SMILES
B(C1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)(O)O
InChI
InChI=1S/C18H19BN2O4S/c1-21(2)17-10-4-9-16-15(17)8-5-11-18(16)26(24,25)20-14-7-3-6-13(12-14)19(22)23/h3-12,20,22-23H,1-2H3
InChI Key
TYXMKSYBCDTGDU-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
≥98.0% (HPLC)
Appearance
Solid Powder
Storage
2-8°C

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
5
Exact Mass
370.1158584 g/mol
Monoisotopic Mass
370.1158584 g/mol
Topological Polar Surface Area
98.2Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
566
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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