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| Name |
2-Anthracenesulfonicacid, 1-amino-9,10-dihydro-4-[(4-methyl-2-sulfophenyl)amino]-9,10-dioxo-,sodium salt (1:2) |
EINECS | 229-069-7 |
| CAS No. | 6408-80-6 | Density | 1.343g/cm3 |
| PSA | 203.35000 | LogP | 4.72020 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C21H14N2Na2O8S2 | Boiling Point | N/A |
| Molecular Weight | 532.45 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Anthracenesulfonicacid, 1-amino-9,10-dihydro-4-[(4-methyl-2-sulfophenyl)amino]-9,10-dioxo-,disodium salt (9CI);2-Anthracenesulfonic acid,1-amino-9,10-dihydro-9,10-dioxo-4-(2-sulfo-p-toluidino)-, disodium salt (8CI);Alizarine Azurol ASR;Alizarine Sky Blue FFG;Best Acid Blue CD-FG;C.I. 62070;C.I. Acid Blue 145;Special Blue CD-FG;Triacid Light Pure Blue FG; |
2-Anthracenesulfonicacid, 1-amino-9,10-dihydro-4-[(4-methyl-2-sulfophenyl)amino]-9,10-dioxo-,sodium salt (1:2) Specification
The 2-Anthracenesulfonicacid, 1-amino-9,10-dihydro-4-[(4-methyl-2-sulfophenyl)amino]-9,10-dioxo-,sodium salt (1:2), with the CAS registry number 6408-80-6, is also known as Acid Blue 145. Its molecular formula is C21H14N2Na2O8S2 and molecular weight is 532.454. Moreover, it has the systematic name disodium 1-amino-4-[(4-methyl-2-sulfonatophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate.
Physical properties of 2-Anthracenesulfonicacid, 1-amino-9,10-dihydro-4-[(4-methyl-2-sulfophenyl)amino]-9,10-dioxo-,sodium salt (1:2): (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -2.27; (4)ACD/LogD (pH 7.4): -2.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 10; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 166.12 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]S(=O)(=O)c1cc(ccc1Nc4c3C(=O)c2ccccc2C(=O)c3c(c(c4)S([O-])(=O)=O)N)C
(2)InChI: InChI=1/C21H16N2O8S2.2Na/c1-10-6-7-13(15(8-10)32(26,27)28)23-14-9-16(33(29,30)31)19(22)18-17(14)20(24)11-4-2-3-5-12(11)21(18)25;;/h2-9,23H,22H2,1H3,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2
(3)InChIKey: RHCZISCTNGVWCV-NUQVWONBAC
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