| Pubchem ID | 247 |
|---|---|
| CAS | 8007-75-8 |
| IUPAC name | 2-(trimethylazaniumyl)acetate |
| Synonyms | Betaine|glycine betaine|oxyneurine|lycine|Trimethylglycine|Abromine|Trimethylglycocoll|Glycylbetaine|Glycocoll betaine|acidin-pepsin|alpha-Earleine|Cystadane|Rubrine C|2-(trimethylazaniumyl)acetate|Jortaine|N,N,N-trimethylglycine|Trimethylaminoacetic acid|Loramine AMB 13|trimethylammonioacetate|Glycine, trimethylbetaine|(Trimethylammonio)acetate|Trimethylaminoacetate|Betafin|Methanaminium, 1-carboxy-N,N,N-trimethyl-, inner salt|2-(Trimethylammonio)Acetate |
| Categories | Flavor enhancer |
| SMILES | C[N+](C)(C)CC(=O)[O-] |
| InCheykey | InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 |
| Natural | nan |
| 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 |
|---|---|---|---|---|
| 117.148 | 0 | 2 | 1 | 40.1 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Very Low Absorption | Too Soluble | Weaker / Non binder | Undefined | 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 |