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: | 57 | |
|---|---|---|
| Name: | 2,6-dimethylaniline | |
| Description: | Original non-IUPAC name was: benzenamine, 2,6-dimethyl- | |
| Labels: | Training | |
| CAS: | 87-62-7 | |
| InChi Code: | InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -0.09 |
experimental value |
| -1.05 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8026307 | US EPA CompTox Dashboard |