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: | mol49 | |
|---|---|---|
| Name: | N-(2,2-Dinitrobutyl)-4,4,4-trinitrobutanamide | |
| Description: | Name in the article: 2,2-dinitrobutyl-4,4,4-trinitrobutyramide | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C8H12N6O11/c1-2-7(10(16)17,11(18)19)5-9-6(15)3-4-8(12(20)21,13(22)23)14(24)25/h2-5H2,1H3,(H,9,15) |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 101 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 2 |
experimental value |
| 2.03 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Validation set) |