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:T21
Name:1,7-dimethoxy-2,4,6-trinitroazaheptane
Description:
Labels:
CAS:
InChi Code:InChI=1S/C6H14N6O8/c1-19-5-8(11(15)16)3-7(10(13)14)4-9(6-20-2)12(17)18/h3-6H2,1-2H3

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
2.22

experimental value

2.22

Eq6: Model for nitramines (Training set)