Pubchem ID | 135320926 |
---|---|
CAS | 72869-70-6 |
IUPAC name | 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone |
Synonyms | - |
Categories | Flavor enhancer |
SMILES | CN(CC1=C(C=C(C=C1)OC)OC)CC(=O)C2=CC=C(C=C2)F |
InCheykey | InChI=1S/C18H20FNO3/c1-20(12-17(21)13-4-7-15(19)8-5-13)11-14-6-9-16(22-2)10-18(14)23-3/h4-10H,11-12H2,1-3H3 |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
317.36 | 0 | 5 | 7 | 38.8 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Low Solubility | Binder | High | Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Toxic | Non-Mutagen | Non-Irritant | Irritant | Irritant | Non-Degradable |