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: | Tab1_21 | |
|---|---|---|
| Name: | 1,1'-Biphenyl-4,4'-diamine, 3,3'-dimethyl- | |
| Description: | ||
| Labels: | ||
| CAS: | 119-93-7 | |
| InChi Code: | InChI=1S/C14H16N2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8H,15-16H2,1-2H3 |
Properties
pLC50: 96-h acute fish toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 1.21 |
experimental value |
| 1.2 |
Eq.3: Model for aromatic amines and phenols (fish) (Training set) |