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: | mol48 | |
|---|---|---|
| Name: | N,N'-bis-(3,3,3-trinitro-propyl)-oxamide | |
| Description: | ||
| Labels: | ||
| CAS: | 71706-38-2 | |
| InChi Code: | InChI=1S/C8H10N8O14/c17-5(9-3-1-7(11(19)20,12(21)22)13(23)24)6(18)10-4-2-8(14(25)26,15(27)28)16(29)30/h1-4H2,(H,9,17)(H,10,18) |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 45 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 1.65 |
experimental value |
| 1.69 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Validation set) |