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:T27
Name:N-(2,2-dinitrobutyl)-N-2,2-trinitro-1-butanamine
Description:
Labels:
CAS:
InChi Code:InChI=1S/C8H14N6O10/c1-3-7(10(15)16,11(17)18)5-9(14(23)24)6-8(4-2,12(19)20)13(21)22/h3-6H2,1-2H3

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
1.9

experimental value

1.94

Eq6: Model for nitramines (Training set)