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: | mol45 | |
|---|---|---|
| Name: | N,N'-Bis(1-methyl-2,2,2-trinitroethyl)urea | |
| Description: | Name in the article: bis-(1,1,1-trinitro-2-propyl) urea | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C7H10N8O13/c1-3(6(10(17)18,11(19)20)12(21)22)8-5(16)9-4(2)7(13(23)24,14(25)26)15(27)28/h3-4H,1-2H3,(H2,8,9,16) |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 19 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 1.28 |
experimental value |
| 1.59 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Validation set) |