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: | mol32 | |
|---|---|---|
| Name: | N,N-Bis-(2,2-dinitro-propyl)-4,4,4-trinitro-butyramide | |
| Description: | ||
| Labels: | ||
| CAS: | 71706-44-0 | |
| InChi Code: | InChI=1S/C10H14N8O15/c1-8(12(20)21,13(22)23)5-11(6-9(2,14(24)25)15(26)27)7(19)3-4-10(16(28)29,17(30)31)18(32)33/h3-6H2,1-2H3 |
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 |
| 1.94 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set) |