Naphthol Blue Black
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CAS Number 8005-03-6
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Catalog Number io-58024
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Classification Azo
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Molecular Weight 616.5000
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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+]
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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.
| 1 | ACID BLACK 1 |
| 2 | Naphthol Blue Black |
| 3 | 1064-48-8 |
| 4 | Amido Black 10B |
| 5 | Acid black 2 |
| Molecular Formula | C22H14N6Na2O9S2 |
|---|---|
| Canonical 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+] |
| Isomeric 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+] |
| Molecular Weight | 616.5000 |
| InChIKey | AOMZHDJXSYHPKS-UHFFFAOYSA-L |
| 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 |
| XLogP | 0.0000 |
| ExactMass | 616.0059 |
| MonoisotopicMass | 616.0059 |
| TPSA | 273.0000 |
| Complexity | 1110.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 2 |
| HBondAcceptorCount | 14 |
| RotatableBondCount | 4 |
| HeavyAtomCount | 41 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 3 |
| PatentCount | 17915 |
| PatentFamilyCount | 6994 |
| LiteratureCount | 80 |
