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: | 1906 | |
|---|---|---|
| Name: | 3,3,3-trifluoropropan-1-amine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3,3,3-Trifluoropropylamine | |
| Labels: | ||
| CAS: | 460-39-9 | |
| InChi Code: | InChI=1S/C3H6F3N/c4-3(5,6)1-2-7/h1-2,7H2 |
Properties
M12.pLC50: Acute inhalation toxicity in mice as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 5.275 |
experimental value |
| 4.214 |
Tab2.Model_12: PFC inal. mouse LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID10196680 | US EPA CompTox Dashboard |