Direct Blue 1 acid
4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5,7-disulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid
| Molecular Formula | C34H28N6O16S4 |
|---|---|
| Molecular Weight | 904.9 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 411.0 A2 |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 11 |
| Exact Mass | 904.04443 |
| Heavy Atoms | 60 |
| Complexity | 1880.0 |
Chemical Identifiers
| CAS Number | 3841-14-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)O)S(=O)(=O)O)O)OC)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)O)S(=O)(=O)O)O |
| InChIKey | OHMJKMNGYYWCHB-UHFFFAOYSA-N |
📖 Product Overview
Direct Blue 1 acid (CAS: 3841-14-3) is a chemical compound with molecular formula C34H28N6O16S4 and molecular weight 904.9 g/mol. Its IUPAC systematic name is 4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5,7-disulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid.
OHMJKMNGYYWCHB-UHFFFAOYSA-N.
SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)O)S(=O)(=O)O)O)OC)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)O)S(=O)(=O)O)O.
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