| Pubchem ID | 61912 |
|---|---|
| CAS | 32610-77-8 |
| IUPAC name | N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;formaldehyde;phenol |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | C=O.C1=CC=C(C=C1)O.C(CNCCNCCN)N |
| InCheykey | InChI=1S/C6H18N4.C6H6O.CH2O/c7-1-3-9-5-6-10-4-2-8;7-6-4-2-1-3-5-6;1-2/h9-10H,1-8H2;1-5,7H;1H2 |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 270.377 | 5 | 6 | 7 | 113.0 |
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 | 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 | Non-Degradable |