Papa, E.; Villa, F.; Gramatica, P. Statistically Validated QSARs, Based on Theoretical Descriptors, for Modeling Aquatic Toxicity of Organic Chemicals in Pimephales promelas (Fathead Minnow). J. Chem. Inf. Model. 2005, 45, 5, 1256–1266.

Compound

	ID:	139
	Name:	tert-Octylamine
	Description:
	Labels:
	CAS:	107-45-9
	InChi Code:	InChI=1S/C8H19N/c1-7(2,3)6-8(4,5)9/h6,9H2,1-5H3

Properties

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

Value	Source or prediction
3.721	experimental value
2.89	Eq9: General validated correlation, logP free (Validation set)

Links to External Resources

Link	Resource description
DTXSID0021886	US EPA CompTox Dashboard