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:V09
Name:N,N'-dinitro-N,N'-bis[2-(nitramino)ethyl]-1,2-ethanediamine
Description:
Labels:
CAS:
InChi Code:InChI=1S/C6H14N8O8/c15-11(16)7-1-3-9(13(19)20)5-6-10(14(21)22)4-2-8-12(17)18/h7-8H,1-6H2

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
1.72

experimental value

1.86

Eq6: Model for nitramines (Test set)