10967/231 - QDB Compounds

QsarDB Repository

Fayet, G.; Rotureau, P. Development of simple QSPR models for the impact sensitivity of nitramines. J. Loss Prev. Process Ind. 2014, 30, 1–8.

Compound

ID:V08
Name:N-(2,2-dinitropropyl)-N-2,2-trinitro-1-propanamine
Description:Descriptor (OB) value and calculated impact sensitivity were corrected by the authors
Labels:
CAS:28464-24-6
InChi Code:InChI=1S/C6H10N6O10/c1-5(8(13)14,9(15)16)3-7(12(21)22)4-6(2,10(17)18)11(19)20/h3-4H2,1-2H3

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
1.46

experimental value

1.52

Eq6: Model for nitramines (Test set)