Papa, E.; Gramatica, P. QSPR as a support for the EU REACH regulation and rational design of environmentally safer chemicals: PBT identification from molecular structure. Green Chem. 2010, 12, 836-843.
Compound
| ID: | 76 | |
|---|---|---|
| Name: | 2-methylaniline | |
| Description: | Original non-IUPAC name was: benzenamine, 2-methyl- | |
| Labels: | Training | |
| CAS: | 95-53-4 | |
| InChi Code: | InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -0.94 |
experimental value |
| -1.04 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1026164 | US EPA CompTox Dashboard |