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: | 1839 | |
|---|---|---|
| Name: | bis(2,2-diethoxyethyl)(methyl)amine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: N,N-Bis(2,2-diethoxyethyl) methylamine | |
| Labels: | ||
| CAS: | 6948-86-3 | |
| InChi Code: | InChI=1S/C13H29NO4/c1-6-15-12(16-7-2)10-14(5)11-13(17-8-3)18-9-4/h12-13H,6-11H2,1-5H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 2.62 |
experimental value |
| 3.4967 |
Tab2.Model_1: P. promelas LC50 (Training set) |