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2-Anthracenesulfonic Acid, 4,8-Diamino-9,10-Dihydro-1,5-Dihydroxy-9,10-Dioxo-, Sodium Salt (1:1)
CAS: 2150-60-9 | C14H10N2NaO7S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2150-60-9
Molecular Formula:
C14H10N2NaO7S
Molecular Mass:
373.30 g/mol
Names and Synonyms:
2-Anthracenesulfonic Acid, 4,8-Diamino-9,10-Dihydro-1,5-Dihydroxy-9,10-Dioxo-, Sodium Salt (1:1)
2-Anthracenesulfonic acid, 4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-, sodium salt (1:1)
2-Anthracenesulfonic acid, 4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-, monosodium salt
2-Anthracenesulfonic acid, 4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-, sodium salt
Alizarine Sapphirol SE
C.I. 63000
Acid Alizarine Sapphire SE
Acid Leather Blue G
Acilan Sapphirol SE
Alizarine Azurol SE
Alizarine Blue SAE-CF
Alizarine Blue SE
Alizarine Light Blue SE
Alizarine MSE
Alizarine Sapphire SE
Bucacid Alizarine Light Blue SE
Calcocid Alizarine Blue SE
C.I. Acid Blue 43
4,8-Dihydroxy-1,5-diaminoanthraquinone-3-sulfonic acid
Erio Fast Cyanine SE
Fenazo Light Blue AE
Kiton Fast Blue G
Mitsui Alizarine Saphirol SE
Oxanal Fast Blue G
Tertracid Light Blue SE
Vondacid Blue SE
Anthraquinone Acid Blue
Alizarine Brilliant Blue BS
Alizarin Brilliant Blue BS
Acid Anthraquinone Blue
1,5-Dihydroxy-4,8-diaminoanthraquinone-2-sulfonic acid sodium salt
Acid Blue 43
Acid Blue Anthraquinone
Lerui Acid Blue SE
Identifiers:
SMILES:
Nc1ccc(O)c2c1C(=O)c1c(O)c(S(=O)(=O)O)cc(N)c1C2=O.[Na]
InChI:
InChI=1S/C14H10N2O7S.Na/c15-4-1-2-6(17)10-8(4)14(20)11-9(13(10)19)5(16)3-7(12(11)18)24(21,22)23;/h1-3,17-18H,15-16H2,(H,21,22,23);
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 373.30 g/mol | CAS Common Chemistry |
| 373.2980000000001 g/mol | RDKit | |
| 373.01064094000003 g/mol | RDKit | |
| Canonical SMILES | [Na].O=C1C=2C(O)=CC=C(N)C2C(=O)C3=C(O)C(=CC(N)=C13)S(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C14H10N2O7S.Na/c15-4-1-2-6(17)10-8(4)14(20)11-9(13(10)19)5(16)3-7(12(11)18)24(21,22)23;/h1-3,17-18H,15-16H2,(H,21,22,23); | CAS Common Chemistry |
| InChI Key | InChIKey=DEEQGQAECSDYPJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Anthracenesulfonic acid, 4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-, sodium salt (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 181.01 Ų | RDKit |
| LogP | -0.09649999999999992 | RDKit |
| Molar Refractivity | 87.47200000000001 | RDKit |
