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:T16
Name:N-methyl-N'-trinitroethyl-N,N'-dinitro-1,2-ethanediamine
Description:
Labels:
CAS:
InChi Code:InChI=1S/C5H9N7O10/c1-6(11(19)20)2-3-7(12(21)22)4-5(8(13)14,9(15)16)10(17)18/h2-4H2,1H3

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
1.04

experimental value

1.31

Eq6: Model for nitramines (Training set)