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25826-34-0

Basic Information
CAS No.: 25826-34-0
Name: disodium 4,4'-[methylenebis(4,1-phenyleneimino)]bis[1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate]
Molecular Structure:
Molecular Structure of 25826-34-0 (disodium 4,4'-[methylenebis(4,1-phenyleneimino)]bis[1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate])
Formula: C41H26N4Na2O10S2
Molecular Weight: 844.78
Synonyms: 2-Anthracenesulfonicacid,4,4'-[methylenebis(4,1-phenyleneimino)]bis[1-amino-9,10-dihydro-9,10-dioxo-,disodium salt (9CI);2-Anthracenesulfonic acid,4,4'-[methylenebis(p-phenyleneimino)]bis[1-amino-9,10-dihydro-9,10-dioxo-,disodium salt (8CI);Acid Blue 127:1;Anadurm Blue M-G;Best Acid Milling BlueGW;C.I. 61133;C.I. Acid Blue 127:1;Carbolan Blue GN;Covabyl Blue FB;Covanyl Blue FB;Kayanol Milling Blue GW;Kenanthrol Blue G;Lanasyn BrilliantBlue GL;Nylomine Blue C-B;Nylosan Blue F-GBL;Nylosan Blue P-GBL;Polar BrilliantBlue GAW;Sandolan Milling Blue N-GL;Sandolan Milling Blue N-GLN;SupranolFast Blue G;Suracid Blue GL;ACID BLUE 140;
EINECS: 247-287-0
Appearance: dark blue powder
PSA: 275.54000
LogP: 8.75800
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Specification

This chemical is called 2-Anthracenesulfonic acid, 4,4'-(methylenebis(4,1-phenyleneimino))bis(1-amino-9,10-dihydro-9,10-dioxo-, sodium salt (1:2), and its CAS registry number is 25826-34-0. With the molecular formula of C41H26N4Na2O10S2, its molecular weight is 844.78. Additionally, its product category is Organics. It's often use for wool, silk, nylon, leather dyeing.

Other characteristics of the 2-Anthracenesulfonic acid, 4,4'-(methylenebis(4,1-phenyleneimino))bis(1-amino-9,10-dihydro-9,10-dioxo-, sodium salt (1:2) can be summarised as followings: (1)ACD/LogP: 5.00; (2)# of Rule of 5 Violations: 4; (3)ACD/LogD (pH 5.5): 0.5; (4)ACD/LogD (pH 7.4): 0.5; (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: 14; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 206.74 Å2.

You can still convert the following datas into molecular structure:
1.SMILES: [Na+].[Na+].[O-]S(=O)(=O)c1cc(c3c(c1N)C(=O)c2ccccc2C3=O)Nc4ccc(cc4)Cc5ccc(cc5)Nc8c7C(=O)c6ccccc6C(=O)c7c(c(c8)S([O-])(=O)=O)N
2.InChI: InChI=1/C41H28N4O10S2.2Na/c42-36-30(56(50,51)52)18-28(32-34(36)40(48)26-7-3-1-5-24(26)38(32)46)44-22-13-9-20(10-14-22)17-21-11-15-23(16-12-21)45-29-19-31(57(53,54)55)37(43)35-33(29)39(47)25-6-2-4-8-27(25)41(35)49;;/h1-16,18-19,44-45H,17,42-43H2,(H,50,51,52)(H,53,54,55);;/q;2*+1/p-2
3.InChIKey: RISWUWJFSHOUBJ-NUQVWONBAD