| Pubchem ID | 123706 |
|---|---|
| CAS | 9004-64-2 |
| IUPAC name | 4-(1-aminopropyl)-N,N,3-trimethylaniline |
| Synonyms | Benzeneethanamine, 4-(dimethylamino)-alpha,2-dimethyl- |
| Categories | Emulsifier |
| SMILES | CCC(C1=C(C=C(C=C1)N(C)C)C)N |
| InCheykey | InChI=1S/C12H20N2/c1-5-12(13)11-7-6-10(14(3)4)8-9(11)2/h6-8,12H,5,13H2,1-4H3 |
| Natural | nan |
| E No. | E463 |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 192.306 | 1 | 2 | 3 | 29.3 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Slightly Soluble | 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 | Irritant | Irritant | Non-Degradable |