| Pubchem ID | 170530 |
|---|---|
| CAS | 8009-03-8 |
| IUPAC name | 1,1,2-trimethylbenzo[e]indole |
| Synonyms | - |
| Categories | Emulsifier |
| SMILES | CC1=NC2=C(C1(C)C)C3=CC=CC=C3C=C2 |
| InCheykey | InChI=1S/C15H15N/c1-10-15(2,3)14-12-7-5-4-6-11(12)8-9-13(14)16-10/h4-9H,1-3H3 |
| Natural | nan |
| E No. | E905b |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 209.292 | 0 | 1 | 0 | 12.4 |
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 | Very High | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Mutagen | Irritant | Irritant | Irritant | Non-Degradable |