Furuhama, A.; Hasunuma, K.; Aoki, Y. Interspecies quantitative structure–activity–activity relationships (QSAARs) for prediction of acute aquatic toxicity of aromatic amines and phenols. SAR QSAR Environ. Res. 2015, 26, 301–323.
Compound
| ID: | I | |
|---|---|---|
| Name: | N,N-diethylaniline | |
| Description: | ||
| Labels: | ||
| CAS: | 91-66-7 | |
| InChi Code: | InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3 |
Properties
pLC50: 96-h acute fish toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 0.76 |
experimental value |
| 0.71 |
Eq.3: Model for aromatic amines and phenols (fish) (Validation set) |
pEC50: 72-h acute algae toxicity as log(1/EC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 1.73 |
experimental value |
| 0.91 |
Eq.4: Model for aromatic amines and phenols (algae) (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8021800 | US EPA CompTox Dashboard |