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: | mol37 | |
|---|---|---|
| Name: | N,N'-Methylene-bis-(2,2,2-trinitroacetamide) | |
| Description: | ||
| Labels: | ||
| CAS: | 71706-37-1 | |
| InChi Code: | InChI=1S/C5H4N8O14/c14-2(4(8(16)17,9(18)19)10(20)21)6-1-7-3(15)5(11(22)23,12(24)25)13(26)27/h1H2,(H,6,14)(H,7,15) |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 9 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 0.95 |
experimental value |
| 0.91 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Validation set) |