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| CAS No.: | 5858-51-5 |
|---|---|
| Name: | Acid Brown 4 |
| Molecular Structure: | |
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| Formula: | C16H13 N3 O4 S . Na |
| Molecular Weight: | 365.04 |
| Synonyms: | 1-Naphthalenesulfonicacid, 6-[(4-aminophenyl)azo]-5-hydroxy-, monosodium salt (9CI);C.I. Acid Brown4 (7CI);C.I. Acid Brown 4, monosodium salt (8CI);Acid Brown 4;Acilan BrownR;C.I. 14805;Multacid Brown R;Neptune Brown RX;Solar Brown RKX; |
| EINECS: | 227-492-1 |
| Density: | 1.447[at 20℃] |
| Solubility: | 18.67g/L at 20℃ |
| PSA: | 136.55000 |
| LogP: | 5.10910 |
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- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- Total:28 Page 1 of 1 1
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Specification
The Acid Brown 4, with the cas register number 5858-51-5, has the IUPAC name of Sodium (6E)-6-[(4-aminophenyl)hydrazinylidene]-5-oxonaphthalene-1-sulfonate. And with the EINECS number 227-492-1, its systematic Name is Sodium 6-((4-aminophenyl)azo)-5-hydroxynaphthalene-1-sulphonate.
The characteristics of this chemical are as follows: (1)Exact Mass:365.044621; (2)MonoIsotopic Mass: 365.044621; (3)Topological Polar Surface Area: 133; (4)Heavy Atom Count: 25; (5)Complexity: 651; (6)Defined Bond StereoCenter Count: 1; (7)Covalently-Bonded Unit Count: 2; (8)ACD/LogP: 0.21; (9)ACD/LogD (pH 5.5): -2; (10)ACD/LogD (pH 7.4): -3; (11)ACD/BCF (pH 5.5): 1; (12)ACD/BCF (pH 7.4): 1; (13)ACD/KOC (pH 5.5): 1; (14)ACD/KOC (pH 7.4): 1; (15)#H bond acceptors: 7; (16)#H bond donors: 4; (17)#Freely Rotating Bonds: 4; (18)Polar Surface Area: 98.66.
In addition, you could obtain the molecular structure by converting the following datas:
(1)SMILES:
[Na+].[O-]S(=O)(=O)c1cccc3c1\C=C/C(=N\Nc2ccc(N)cc2)C3=OCopyCopied
(2)InChI:InChI=1/C16H13N3O4S.Na/c17-10-4-6-11(7-5-10)18-19-14-9-8-12-13(16(14)20)2-1-3-15(12)24(21,22)23;/h1-9,18H,17H2,(H,21,22,23);/q;+1/p-1/b19-14+; CopyCopied
(3)InChIKey:AVULUSFAVFJIOG-LUNVNUMUBS