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: | mol9 | |
|---|---|---|
| Name: | 4,4,4-trinitrobutyramide | |
| Description: | ||
| Labels: | ||
| CAS: | 13000-42-5 | |
| InChi Code: | InChI=1S/C4H6N4O7/c5-3(9)1-2-4(6(10)11,7(12)13)8(14)15/h1-2H2,(H2,5,9) |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 40 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 1.6 |
experimental value |
| 1.62 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXCID2078778 | US EPA CompTox Dashboard |