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: | mol44 | |
|---|---|---|
| Name: | 2,2-Dinitropropyl 4,4,4-trinitrobutyramide | |
| Description: | ||
| Labels: | ||
| CAS: | 71706-42-8 | |
| InChi Code: | InChI=1S/C7H10N6O11/c1-6(9(15)16,10(17)18)4-8-5(14)2-3-7(11(19)20,12(21)22)13(23)24/h2-4H2,1H3,(H,8,14) |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 72 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 1.86 |
experimental value |
| 1.79 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Validation set) |