| Pubchem ID | 22830 |
|---|---|
| CAS | 6358-53-8 |
| IUPAC name | 1-[(2,5-dimethoxyphenyl)diazenyl]naphthalen-2-ol |
| Synonyms | Citrus Red|C.I. Solvent Red 80|Solvent red 80|Citrus Red No. 2|CI Solvent Red 80|Cerven rozpoustedlova 80 |
| Categories | Color |
| SMILES | COC1=CC(=C(C=C1)OC)N=NC2=C(C=CC3=CC=CC=C32)O |
| InCheykey | InChI=1S/C18H16N2O3/c1-22-13-8-10-17(23-2)15(11-13)19-20-18-14-6-4-3-5-12(14)7-9-16(18)21/h3-11,21H,1-2H3 |
| Natural | nan |
| E No. | E121 |
| GHS Siginal | Warning |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 308.337 | 1 | 5 | 4 | 63.4 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Low Solubility | Binder | High | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Toxic | Mutagen | Non-Irritant | Non-Irritant | Irritant | Non-Degradable |