| Pubchem ID | 134996364 |
|---|---|
| CAS | 25322-68-3 |
| IUPAC name | (butan-2-ylamino)methyl-phenylphosphinic acid |
| Synonyms | - |
| Categories | Boiler water additive |
| SMILES | CCC(C)NCP(=O)(C1=CC=CC=C1)O |
| InCheykey | InChI=1S/C11H18NO2P/c1-3-10(2)12-9-15(13,14)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,13,14) |
| Natural | nan |
| E No. | E1521 |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 227.244 | 2 | 3 | 5 | 49.3 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Slightly Soluble | Weaker / Non binder | Medium | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Non-Irritant | Irritant | Irritant | Non-Degradable |