| Pubchem ID | 7894 |
|---|---|
| CAS | 107-85-7 |
| IUPAC name | 3-methylbutan-1-amine |
| Synonyms | 3-Methylbutylamine|1-Amino-3-methylbutane|Monoisoamylamine|1-Butanamine, 3-methyl-|Leucamine|3-Methylbutanamine|Isovalerylamine|Monoisopentylamine|gamma-Isoamylamine|3-Methyl-1-butylamine|Isobutylcarbylamine|3-Methyl-Butylamine|3-Methyl-1-butanamine|Butylamine, 3-methyl-|3,3-Dimethylpropylamine|1-Aminoisopentane|isoamyl amine |
| Categories | Flavor enhancer |
| SMILES | CC(C)CCN |
| InCheykey | InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 87.166 | 1 | 1 | 2 | 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 | Non 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 |