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| Name |
2-Anthracenesulfonicacid,1-amino-9,10-dihydro-9,10-dioxo-4-[(2,4,6-trimethyl-3-sulfophenyl)amino]-,sodium salt |
EINECS | N/A |
| CAS No. | 82944-37-4 | Density | N/A |
| PSA | 200.52000 | LogP | 5.67960 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C23H20N2O8S2•Na | Boiling Point | N/A |
| Molecular Weight | 538.53 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
ACID BLUE 129:1;2-Anthracenesulfonicacid, 1-amino-9,10-dihydro-9,10-dioxo-4-[(2,4,6-trimethyl-3-sulfophenyl)amino]-,monosodium salt (9CI);Best Acid Blue PRLS;C.I. Acid Blue 129:1;Midlon FastBlue ER;Polan Blue ERN; |
2-Anthracenesulfonicacid,1-amino-9,10-dihydro-9,10-dioxo-4-[(2,4,6-trimethyl-3-sulfophenyl)amino]-,sodium salt Specification
The 2-Anthracenesulfonicacid,1-amino-9,10-dihydro-9,10-dioxo-4-[(2,4,6-trimethyl-3-sulfophenyl)amino]-,sodium salt is an organic compound with the formula C23H20N2O8S2•Na. The IUPAC name of this chemical is Sodium 1-amino-9,10-dioxo-4-(2,4,6-trimethyl-3-sulfoanilino)anthracene-2-sulfonate. The CAS registry number of this chemical is 82944-37-4. Besides, its molecular weight is 538.53.
The physical properties of 2-Anthracenesulfonicacid,1-amino-9,10-dihydro-9,10-dioxo-4-[(2,4,6-trimethyl-3-sulfophenyl)amino]-,sodium salt are: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -2.49; (4)ACD/LogD (pH 7.4): -2.49; (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: 155.12 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=S(=O)(O)c1c(cc(c(c1C)Nc4c3C(=O)c2ccccc2C(=O)c3c(c(c4)S([O-])(=O)=O)N)C)C
(2)InChI: InChI=1/C23H20N2O8S2.Na/c1-10-8-11(2)23(35(31,32)33)12(3)20(10)25-15-9-16(34(28,29)30)19(24)18-17(15)21(26)13-6-4-5-7-14(13)22(18)27;/h4-9,25H,24H2,1-3H3,(H,28,29,30)(H,31,32,33);/q;+1/p-1
(3)InChIKey: SVNACZCPWZXXSW-REWHXWOFAE
(4)Std. InChI: InChI=1S/C23H20N2O8S2.Na/c1-10-8-11(2)23(35(31,32)33)12(3)20(10)25-15-9-16(34(28,29)30)19(24)18-17(15)21(26)13-6-4-5-7-14(13)22(18)27;/h4-9,25H,24H2,1-3H3,(H,28,29,30)(H,31,32,33);/q;+1/p-1
(5)Std. InChIKey: SVNACZCPWZXXSW-UHFFFAOYSA-M
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