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Hydroxynaphthol Blue

CAT: 0013-GTR19244983-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19244983-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Hydroxynaphthol Blue enables visual detection of tube assay closure and specifically detects the Ara h 1 gene for peanut allergen identification.
CAS Number
63451-35-4
Smiles
O=S ([O-]) (C (C=CC1=C2N=NC3=C (C=C (S (=O) ([O-]) =O) C4=C3C=CC=C4) O) =CC1=CC (S (=O) ([O-]) =O) =C2O) =O.[Na+].[Na+].[Na+]
Molecular Formula
C20H11N2Na3O11S3
Molecular Weight
620.47
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year
Notes
For research use only.

Chemical Information

Hydroxynaphthol blue

See also: hydroxy naphthol blue, disodium salt (annotation moved to); Hydroxynaphthol blue (annotation moved to).

CAS Number63451-35-4
PubChem CID113232
IUPAC Nametrisodium;3-hydroxy-4-[(2-hydroxy-4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate
Molecular FormulaC20H11N2Na3O11S3
Molecular Weight620.5
Topological Polar Surface Area262
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count2
Heavy Atom Count39
Formal Charge0
Complexity1120
SMILES
C1=CC=C2C(=C1)C(=CC(=C2N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChI
InChI=1S/C20H14N2O11S3.3Na/c23-15-9-16(35(28,29)30)13-3-1-2-4-14(13)18(15)21-22-19-12-6-5-11(34(25,26)27)7-10(12)8-17(20(19)24)36(31,32)33;;;/h1-9,23-24H,(H,25,26,27)(H,28,29,30)(H,31,32,33);;;/q;3*+1/p-3
InChIKey
AUIINJJXRXMPGT-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of Hydroxynaphthol blue
CAS: 63451-35-4
CID: 113232
Formula: C20H11N2Na3O11S3
MW: 620.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight620.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count2
Exact Mass619.92180554
Monoisotopic Mass619.92180554
Topological Polar Surface Area262 Ų
Heavy Atom Count39
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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