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:	1649
	Name:	2,4,4-trimethylpentan-2-amine
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Tert-octylamine
	Labels:
	CAS:	107-45-9
	InChi Code:	InChI=1S/C8H19N/c1-7(2,3)6-8(4,5)9/h6,9H2,1-5H3

Properties

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

Value	Source or prediction
3.72	experimental value
3.0608	Tab2.Model_1: P. promelas LC50 (Training set)

Links to External Resources

Link	Resource description
DTXSID0021886	US EPA CompTox Dashboard