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: | mol17 | |
|---|---|---|
| Name: | 1,5-Bis(trinitroethyl)biuret | |
| Description: | ||
| Labels: | ||
| CAS: | 502184-97-6 | |
| InChi Code: | InChI=1S/C6H7N9O14/c16-3(7-1-5(10(18)19,11(20)21)12(22)23)9-4(17)8-2-6(13(24)25,14(26)27)15(28)29/h1-2H2,(H3,7,8,9,16,17) |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 24 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 1.38 |
experimental value |
| 1.28 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set) |