Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 1631 | |
|---|---|---|
| Name: | N,N,4-trimethylaniline | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: N,N-Dimethyl-p-toluidine | |
| Labels: | ||
| CAS: | 99-97-8 | |
| InChi Code: | InChI=1S/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.44 |
experimental value |
| 3.5625 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0021832 | US EPA CompTox Dashboard |