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:	1628
	Name:	2-[bis(propan-2-yl)amino]ethan-1-ol
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-(Diisopropylamino)-ethanol
	Labels:
	CAS:	96-80-0
	InChi Code:	InChI=1S/C8H19NO/c1-7(2)9(5-6-10)8(3)4/h7-8,10H,5-6H2,1-4H3

Properties

M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]

Value	Source or prediction
2.86	experimental value
2.4927	Tab2.Model_1: P. promelas LC50 (Training set)