| Pubchem ID | 4 |
|---|---|
| CAS | 78-96-6 |
| IUPAC name | 1-aminopropan-2-ol |
| Synonyms | 1-Aminopropan-2-ol|Amino-2-propanol|Monoisopropanolamine|Threamine|2-Propanol, 1-amino-|Hydroxypropylamine|1-Methyl-2-aminoethanol|2-Hydroxypropanamine|2-Amino-1-methylethanol|1-Amino-2-hydroxypropane|2-Hydroxy-1-propylamine|DL-1-Amino-2-propanol|Mono-iso-propanolamine|alpha-Aminoisopropyl alcohol|1-amino-propan-2-ol|(+/-)-1-Amino-2-propanol|(+/-)-Isopropanolamine |
| Categories | Flavor enhancer |
| SMILES | CC(CN)O |
| InCheykey | InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | Danger |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 75.111 | 2 | 2 | 1 | 46.2 |
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 | Undefined | 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 |