| Pubchem ID | 25059 |
|---|---|
| CAS | 10222-01-2 |
| IUPAC name | 2,2-dibromo-2-cyanoacetamide |
| Synonyms | 2,2-Dibromo-3-nitrilopropionamide|Dbnpa|Acetamide, 2,2-dibromo-2-cyano-|2-Cyano-2,2-dibromoacetamide|XD-7287l Antimicrobial|2,2-Dibromo-2-carbamoylacetonitrile |
| Categories | Antimicrobial agent |
| SMILES | C(#N)C(C(=O)N)(Br)Br |
| InCheykey | InChI=1S/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8) |
| Natural | nan |
| 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 |
|---|---|---|---|---|
| 241.87 | 1 | 2 | 1 | 66.9 |
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 | Low | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |