10967/209 - QDB Compounds

QsarDB Repository

Prana, V.; Fayet, G.; Rotureau, P.; Adamo, C. Development of validated QSPR models for impact sensitivity of nitroaliphatic compounds. J. Hazard. Mater. 2012, 235-236, 169–177.

50 compounds | Property log_h50: Impact sensitivity as log h50% [log(cm)]

IDNamelog_h50Details
mol11,1,1,3,5,5,5-heptanitropentane0.9View
mol21,1,1,6,6,6-hexanitro-3-hexyne0.85View
mol33,3,4,4-tetranitrohexane1.9View
mol42,2,4,4,6,6-hexanitroheptane1.46View
mol52,2,4,6,6-pentanitroheptane1.75View
mol62,2,2-Trinitroethyl carbamate1.26View
mol72,2-Dinitro-1,3-propane-diol2.04View
mol8Methyl, 2,2,2-trinitroethyl carbonate1.45View
mol94,4,4-trinitrobutyramide1.6View
mol10Bis-(2,2,2-trinitroethyl) carbonate1.2View
mol11bis-(trinitroethoxy)-methane1.23View
mol12N,N'-Bis-(2,2,2-trinitroethyl)-urea1.23View
mol13Ethyl, 2,2,2-trinitroethyl carbonate1.91View
mol14Bis-(trinitroethyl)-oxalate1.18View
mol15Bis-(trinitroethyl)-oxamide1.11View
mol16N-trinitroethyl-4,4,4-trinitrobutyramide1.26View
mol171,5-Bis(trinitroethyl)biuret1.38View
mol18N-(t-butyl)-trinitro-acetamide2.04View
mol191,1,1,7,7,7-hexanitro-4-heptanone1.53View
mol202,2-dinitropropyl trinitrobutyrate2.18View
mol212,2,2-trinitroethyl-4,4-dinitrovalerate1.85View
mol22bis-(2,2-dinitropropyl) carbonate2.48View
mol23Bis-(trinitropropyl)-urea1.36View
mol24bis(trinitroethyl) fumarate1.15View
mol25trinitroethyl-bis-(trinitroethoxy)-acetate0.78View
mol264,4,4-trinitrobutyric acid anhydride1.48View
mol272,2,2-trinitroethyl-4,4-dinitrohexanoate2.14View
mol282-nitroisobutyl 4,4,4-trinitrobutyrate2.45View
mol29tetrakis(2,2,2-trinitroethyl) orthocarbonate0.85View
mol30methylene bis-(4,4,4-trinitrobutyramide)2.05View
mol31Ethylene bis-(4,4,4-trinitrobutyrate)2.08View
mol32N,N-Bis-(2,2-dinitro-propyl)-4,4,4-trinitro-butyramide1.86View
mol332,2-dinitropropane-1,3-diol-bis-(4,4,4-trinitro butyrate)1.7View
mol34Bis-(2,2,2-trinitroethyl)-4,4,6,6,8,8-hexanitro-undecanedioate1.51View
mol351,1,1,3-tetranitrobutane1.52View
mol361,1,1,6,6,6-hexanitro-3-hexene1.23View
mol37N,N'-Methylene-bis-(2,2,2-trinitroacetamide)0.95View
mol385,5,5-trinitro-2-pentanone2.1View
mol39N-(2-propyl)-trinitroacetamide2.05View
mol402,2,2-Trinitroethyl-4,4,4-trinitrobutyrate1.26View
mol41trinitroethyl 2,2-dinitropropyl carbonate1.18View
mol42Tris-(2,2,2-trinitroethyl) orthoformate0.85View
mol43methylene-bis-[(trinitroethyl)-carbamate] i1.43View
mol442,2-Dinitropropyl 4,4,4-trinitrobutyramide1.86View
mol45N,N'-Bis(1-methyl-2,2,2-trinitroethyl)urea i1.28View
mol46Bis-(2,2,2-trinitroethyl)-succinate1.48View
mol47Bis-(2,2-dinitropropyl)-oxalate2.36View
mol48N,N'-bis-(3,3,3-trinitro-propyl)-oxamide1.65View
mol49N-(2,2-Dinitrobutyl)-4,4,4-trinitrobutanamide i2View
mol50Bis-(2,2,2-trinitro-ethyl)-4,4-dinitroheptanedioate i1.83View

Bibliography

  1. Storm, C.; Stine, J.; Kramer, J. Sensitivity relationships in energetic materials. In Chemistry and physics of energetic materials; Bulusu, SN, Ed.; Kluwer Academic Publishers Dordrecht, The Netherlands; 1990.