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: | 1620 | |
|---|---|---|
| Name: | 2-[ethyl(3-methylphenyl)amino]ethan-1-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-(N-ethyl-m-toluidino)ethanol | |
| Labels: | ||
| CAS: | 91-88-3 | |
| InChi Code: | InChI=1S/C11H17NO/c1-3-12(7-8-13)11-6-4-5-10(2)9-11/h4-6,9,13H,3,7-8H2,1-2H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.53 |
experimental value |
| 4.0791 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3021801 | US EPA CompTox Dashboard |