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Acid Black 1

CAT: 0127-OR1012205-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0127-OR1012205-01Size:100 g
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CAS Number
1064-48-8
MDL Number
MFCD00004017
Purity
BS
Smiles
C1=CC=C(C=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC4=CC=C(C=C4)[N+](=O)[O-])N)O.[Na+].[Na+]
Notes
BS

Chemical Information

2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-(2-(4-nitrophenyl)diazenyl)-6-(2-phenyldiazenyl)-, sodium salt (1:?)

Amido Black 10B is an organic sodium salt resulting from the formal condensation of Amido Black 10B (acid form) with two equivalents of sodium hydroxide. It has a role as a histological dye. It contains a 4-amino-5-hydroxy-3-[(p-nitrophenyl)azo]-6-(phenylazo)-naphthalene-2,7-disulfonate.

CAS Number1064-48-8
PubChem CID135442942
IUPAC Namedisodium;4-amino-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-6-phenyldiazenylnaphthalene-2,7-disulfonate
Molecular FormulaC22H14N6Na2O9S2
Molecular Weight616.5
Topological Polar Surface Area273
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count4
Heavy Atom Count41
Formal Charge0
Complexity1110
SMILES
C1=CC=C(C=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC4=CC=C(C=C4)[N+](=O)[O-])N)O.[Na+].[Na+]
InChI
InChI=1S/C22H16N6O9S2.2Na/c23-19-18-12(11-17(39(35,36)37)21(22(18)29)27-24-13-4-2-1-3-5-13)10-16(38(32,33)34)20(19)26-25-14-6-8-15(9-7-14)28(30)31;;/h1-11,29H,23H2,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2
InChIKey
AOMZHDJXSYHPKS-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-(2-(4-nitrophenyl)diazenyl)-6-(2-phenyldiazenyl)-, sodium salt (1:?)
CAS: 1064-48-8
CID: 135442942
Formula: C22H14N6Na2O9S2
MW: 616.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight616.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count4
Exact Mass616.00590696
Monoisotopic Mass616.00590696
Topological Polar Surface Area273 Ų
Heavy Atom Count41
Formal Charge0
Complexity1110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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