| Pubchem ID | 4837 |
|---|---|
| CAS | 110-85-0 |
| IUPAC name | piperazine |
| Synonyms | Diethylenediamine|1,4-Diazacyclohexane|Piperazin|Hexahydropyrazine|Piperazidine|Antiren|1,4-Piperazine|Diethyleneimine|Pipersol|Eraverm|Lumbrical |
| Categories | Flavor enhancer |
| SMILES | C1CNCCN1 |
| InCheykey | InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2 |
| 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 |
|---|---|---|---|---|
| 86.138 | 2 | 2 | 0 | 24.1 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Low 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 |