| Pubchem ID | 7852 |
|---|---|
| CAS | 107-10-8 |
| IUPAC name | propan-1-amine |
| Synonyms | Propan-1-amine|1-Propanamine|1-Propylamine|n-Propylamine|Propanamine|1-AMINOPROPANE|Monopropylamine|Mono-n-propylamine|propyl amine|n-Propyl Amine |
| Categories | Flavor enhancer |
| SMILES | CCCN |
| InCheykey | InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3 |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 59.112 | 1 | 1 | 1 | 26.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Moderate Absorption | Too Soluble | Weaker / Non binder | Medium | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |