Prana, V.; Fayet, G.; Rotureau, P.; Adamo, C. Development of validated QSPR models for impact sensitivity of nitroaliphatic compounds. J. Hazard. Mater. 2012, 235-236, 169–177.
Compound
| ID: | mol39 | |
|---|---|---|
| Name: | N-(2-propyl)-trinitroacetamide | |
| Description: | ||
| Labels: | ||
| CAS: | 870100-65-5 | |
| InChi Code: | InChI=1S/C5H8N4O7/c1-3(2)6-4(10)5(7(11)12,8(13)14)9(15)16/h3H,1-2H3,(H,6,10) |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 112 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 2.05 |
experimental value |
| 1.89 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Validation set) |