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 h50: Impact sensitivity [cm]

ID Name h50 Details
mol1 1,1,1,3,5,5,5-heptanitropentane 8 View
mol2 1,1,1,6,6,6-hexanitro-3-hexyne 7 View
mol3 3,3,4,4-tetranitrohexane 80 View
mol4 2,2,4,4,6,6-hexanitroheptane 29 View
mol5 2,2,4,6,6-pentanitroheptane 56 View
mol6 2,2,2-Trinitroethyl carbamate 18 View
mol7 2,2-Dinitro-1,3-propane-diol 110 View
mol8 Methyl, 2,2,2-trinitroethyl carbonate 28 View
mol9 4,4,4-trinitrobutyramide 40 View
mol10 Bis-(2,2,2-trinitroethyl) carbonate 16 View
mol11 bis-(trinitroethoxy)-methane 17 View
mol12 N,N'-Bis-(2,2,2-trinitroethyl)-urea 17 View
mol13 Ethyl, 2,2,2-trinitroethyl carbonate 81 View
mol14 Bis-(trinitroethyl)-oxalate 15 View
mol15 Bis-(trinitroethyl)-oxamide 13 View
mol16 N-trinitroethyl-4,4,4-trinitrobutyramide 18 View
mol17 1,5-Bis(trinitroethyl)biuret 24 View
mol18 N-(t-butyl)-trinitro-acetamide 110 View
mol19 1,1,1,7,7,7-hexanitro-4-heptanone 34 View
mol20 2,2-dinitropropyl trinitrobutyrate 151 View
mol21 2,2,2-trinitroethyl-4,4-dinitrovalerate 70 View
mol22 bis-(2,2-dinitropropyl) carbonate 300 View
mol23 Bis-(trinitropropyl)-urea 23 View
mol24 bis(trinitroethyl) fumarate 14 View
mol25 trinitroethyl-bis-(trinitroethoxy)-acetate 6 View
mol26 4,4,4-trinitrobutyric acid anhydride 30 View
mol27 2,2,2-trinitroethyl-4,4-dinitrohexanoate 138 View
mol28 2-nitroisobutyl 4,4,4-trinitrobutyrate 279 View
mol29 tetrakis(2,2,2-trinitroethyl) orthocarbonate 7 View
mol30 methylene bis-(4,4,4-trinitrobutyramide) 113 View
mol31 Ethylene bis-(4,4,4-trinitrobutyrate) 120 View
mol32 N,N-Bis-(2,2-dinitro-propyl)-4,4,4-trinitro-butyramide 72 View
mol33 2,2-dinitropropane-1,3-diol-bis-(4,4,4-trinitro butyrate) 50 View
mol34 Bis-(2,2,2-trinitroethyl)-4,4,6,6,8,8-hexanitro-undecanedioate 32 View
mol35 1,1,1,3-tetranitrobutane 33 View
mol36 1,1,1,6,6,6-hexanitro-3-hexene 17 View
mol37 N,N'-Methylene-bis-(2,2,2-trinitroacetamide) 9 View
mol38 5,5,5-trinitro-2-pentanone 125 View
mol39 N-(2-propyl)-trinitroacetamide 112 View
mol40 2,2,2-Trinitroethyl-4,4,4-trinitrobutyrate 18 View
mol41 trinitroethyl 2,2-dinitropropyl carbonate 15 View
mol42 Tris-(2,2,2-trinitroethyl) orthoformate 7 View
mol43 methylene-bis-[(trinitroethyl)-carbamate] i 27 View
mol44 2,2-Dinitropropyl 4,4,4-trinitrobutyramide 72 View
mol45 N,N'-Bis(1-methyl-2,2,2-trinitroethyl)urea i 19 View
mol46 Bis-(2,2,2-trinitroethyl)-succinate 30 View
mol47 Bis-(2,2-dinitropropyl)-oxalate 227 View
mol48 N,N'-bis-(3,3,3-trinitro-propyl)-oxamide 45 View
mol49 N-(2,2-Dinitrobutyl)-4,4,4-trinitrobutanamide i 101 View
mol50 Bis-(2,2,2-trinitro-ethyl)-4,4-dinitroheptanedioate i 68 View


  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.