REPOSITORY QDB GUIDELINES CITING BLOG

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)]

ID Name log_h50 Details
mol1 1,1,1,3,5,5,5-heptanitropentane 0.9 View
mol2 1,1,1,6,6,6-hexanitro-3-hexyne 0.85 View
mol3 3,3,4,4-tetranitrohexane 1.9 View
mol4 2,2,4,4,6,6-hexanitroheptane 1.46 View
mol5 2,2,4,6,6-pentanitroheptane 1.75 View
mol6 2,2,2-Trinitroethyl carbamate 1.26 View
mol7 2,2-Dinitro-1,3-propane-diol 2.04 View
mol8 Methyl, 2,2,2-trinitroethyl carbonate 1.45 View
mol9 4,4,4-trinitrobutyramide 1.6 View
mol10 Bis-(2,2,2-trinitroethyl) carbonate 1.2 View
mol11 bis-(trinitroethoxy)-methane 1.23 View
mol12 N,N'-Bis-(2,2,2-trinitroethyl)-urea 1.23 View
mol13 Ethyl, 2,2,2-trinitroethyl carbonate 1.91 View
mol14 Bis-(trinitroethyl)-oxalate 1.18 View
mol15 Bis-(trinitroethyl)-oxamide 1.11 View
mol16 N-trinitroethyl-4,4,4-trinitrobutyramide 1.26 View
mol17 1,5-Bis(trinitroethyl)biuret 1.38 View
mol18 N-(t-butyl)-trinitro-acetamide 2.04 View
mol19 1,1,1,7,7,7-hexanitro-4-heptanone 1.53 View
mol20 2,2-dinitropropyl trinitrobutyrate 2.18 View
mol21 2,2,2-trinitroethyl-4,4-dinitrovalerate 1.85 View
mol22 bis-(2,2-dinitropropyl) carbonate 2.48 View
mol23 Bis-(trinitropropyl)-urea 1.36 View
mol24 bis(trinitroethyl) fumarate 1.15 View
mol25 trinitroethyl-bis-(trinitroethoxy)-acetate 0.78 View
mol26 4,4,4-trinitrobutyric acid anhydride 1.48 View
mol27 2,2,2-trinitroethyl-4,4-dinitrohexanoate 2.14 View
mol28 2-nitroisobutyl 4,4,4-trinitrobutyrate 2.45 View
mol29 tetrakis(2,2,2-trinitroethyl) orthocarbonate 0.85 View
mol30 methylene bis-(4,4,4-trinitrobutyramide) 2.05 View
mol31 Ethylene bis-(4,4,4-trinitrobutyrate) 2.08 View
mol32 N,N-Bis-(2,2-dinitro-propyl)-4,4,4-trinitro-butyramide 1.86 View
mol33 2,2-dinitropropane-1,3-diol-bis-(4,4,4-trinitro butyrate) 1.7 View
mol34 Bis-(2,2,2-trinitroethyl)-4,4,6,6,8,8-hexanitro-undecanedioate 1.51 View
mol35 1,1,1,3-tetranitrobutane 1.52 View
mol36 1,1,1,6,6,6-hexanitro-3-hexene 1.23 View
mol37 N,N'-Methylene-bis-(2,2,2-trinitroacetamide) 0.95 View
mol38 5,5,5-trinitro-2-pentanone 2.1 View
mol39 N-(2-propyl)-trinitroacetamide 2.05 View
mol40 2,2,2-Trinitroethyl-4,4,4-trinitrobutyrate 1.26 View
mol41 trinitroethyl 2,2-dinitropropyl carbonate 1.18 View
mol42 Tris-(2,2,2-trinitroethyl) orthoformate 0.85 View
mol43 methylene-bis-[(trinitroethyl)-carbamate] i 1.43 View
mol44 2,2-Dinitropropyl 4,4,4-trinitrobutyramide 1.86 View
mol45 N,N'-Bis(1-methyl-2,2,2-trinitroethyl)urea i 1.28 View
mol46 Bis-(2,2,2-trinitroethyl)-succinate 1.48 View
mol47 Bis-(2,2-dinitropropyl)-oxalate 2.36 View
mol48 N,N'-bis-(3,3,3-trinitro-propyl)-oxamide 1.65 View
mol49 N-(2,2-Dinitrobutyl)-4,4,4-trinitrobutanamide i 2 View
mol50 Bis-(2,2,2-trinitro-ethyl)-4,4-dinitroheptanedioate i 1.83 View

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.