| Pubchem ID | 6363 |
|---|---|
| CAS | 75-31-0 |
| IUPAC name | propan-2-amine |
| Synonyms | 2-Propanamine|propan-2-amine|2-Aminopropane|2-Propylamine|Monoisopropylamine|sec-Propylamine|1-Methylethylamine|isopropyl amine|Isopropilamina|Propane, 2-amino-|2-Aminopropan|2-Amino-propaan|2-Amino-propano|2-Propaneamine |
| Categories | Flavor enhancer |
| SMILES | CC(C)N |
| InCheykey | InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3 |
| 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 | 0 | 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 | Low | 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 | Irritant | Irritant | Degradable |