| Pubchem ID | 119 |
|---|---|
| CAS | 56-12-2 |
| IUPAC name | 4-aminobutanoic acid |
| Synonyms | 4-Aminobutanoic acid|GABA|gamma-aminobutyric acid|Piperidic acid|Piperidinic acid|Aminalon|butanoic acid, 4-amino-|Gammalon|Gaballon|Mielogen|Mielomade|Gammalone|Gamarex|Gammasol|Gammar|Reanal|gamma-amino-n-butyric acid|Immu-G|gamma-Aminobutanoic acid|Butyric acid, 4-amino-|Gammagee|Gamastan|Gamulin|4-aminobutyrate|4-aminobutanoate|omega-Aminobutyric acid|gamma-Amino butyric acid|3-Carboxypropylamine|gamma-Aminobuttersaeure|4-amino-butanoic acid |
| Categories | Flavor enhancer |
| SMILES | C(CC(=O)O)CN |
| InCheykey | InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) |
| Natural | YES |
| E No. | - |
| GHS Siginal | Warning |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 103.121 | 2 | 3 | 3 | 63.3 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Too Soluble | Weaker / Non binder | Low | 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 | Non-Irritant | Non-Irritant | Irritant | Degradable |