| Pubchem ID | 24874 |
|---|---|
| CAS | 13952-84-6 |
| IUPAC name | butan-2-amine |
| Synonyms | 2-Butanamine|butan-2-amine|2-Aminobutane|2-Butylamine|1-Methylpropylamine|Tutane|Butafume|1-Methylpropanamine|Deccotane|Frucote|2-Aminobutane base|s-butylamine |
| Categories | Flavor enhancer |
| SMILES | CCC(C)N |
| InCheykey | InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3 |
| 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 |
|---|---|---|---|---|
| 73.139 | 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 |
|---|---|---|---|---|---|
| Good Absorption | Optimal Solubility | 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 | Irritant | Irritant | Degradable |