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]

IDNameh50Details
mol11,1,1,3,5,5,5-heptanitropentane8View
mol21,1,1,6,6,6-hexanitro-3-hexyne7View
mol33,3,4,4-tetranitrohexane80View
mol42,2,4,4,6,6-hexanitroheptane29View
mol52,2,4,6,6-pentanitroheptane56View
mol62,2,2-Trinitroethyl carbamate18View
mol72,2-Dinitro-1,3-propane-diol110View
mol8Methyl, 2,2,2-trinitroethyl carbonate28View
mol94,4,4-trinitrobutyramide40View
mol10Bis-(2,2,2-trinitroethyl) carbonate16View
mol11bis-(trinitroethoxy)-methane17View
mol12N,N'-Bis-(2,2,2-trinitroethyl)-urea17View
mol13Ethyl, 2,2,2-trinitroethyl carbonate81View
mol14Bis-(trinitroethyl)-oxalate15View
mol15Bis-(trinitroethyl)-oxamide13View
mol16N-trinitroethyl-4,4,4-trinitrobutyramide18View
mol171,5-Bis(trinitroethyl)biuret24View
mol18N-(t-butyl)-trinitro-acetamide110View
mol191,1,1,7,7,7-hexanitro-4-heptanone34View
mol202,2-dinitropropyl trinitrobutyrate151View
mol212,2,2-trinitroethyl-4,4-dinitrovalerate70View
mol22bis-(2,2-dinitropropyl) carbonate300View
mol23Bis-(trinitropropyl)-urea23View
mol24bis(trinitroethyl) fumarate14View
mol25trinitroethyl-bis-(trinitroethoxy)-acetate6View
mol264,4,4-trinitrobutyric acid anhydride30View
mol272,2,2-trinitroethyl-4,4-dinitrohexanoate138View
mol282-nitroisobutyl 4,4,4-trinitrobutyrate279View
mol29tetrakis(2,2,2-trinitroethyl) orthocarbonate7View
mol30methylene bis-(4,4,4-trinitrobutyramide)113View
mol31Ethylene bis-(4,4,4-trinitrobutyrate)120View
mol32N,N-Bis-(2,2-dinitro-propyl)-4,4,4-trinitro-butyramide72View
mol332,2-dinitropropane-1,3-diol-bis-(4,4,4-trinitro butyrate)50View
mol34Bis-(2,2,2-trinitroethyl)-4,4,6,6,8,8-hexanitro-undecanedioate32View
mol351,1,1,3-tetranitrobutane33View
mol361,1,1,6,6,6-hexanitro-3-hexene17View
mol37N,N'-Methylene-bis-(2,2,2-trinitroacetamide)9View
mol385,5,5-trinitro-2-pentanone125View
mol39N-(2-propyl)-trinitroacetamide112View
mol402,2,2-Trinitroethyl-4,4,4-trinitrobutyrate18View
mol41trinitroethyl 2,2-dinitropropyl carbonate15View
mol42Tris-(2,2,2-trinitroethyl) orthoformate7View
mol43methylene-bis-[(trinitroethyl)-carbamate] i27View
mol442,2-Dinitropropyl 4,4,4-trinitrobutyramide72View
mol45N,N'-Bis(1-methyl-2,2,2-trinitroethyl)urea i19View
mol46Bis-(2,2,2-trinitroethyl)-succinate30View
mol47Bis-(2,2-dinitropropyl)-oxalate227View
mol48N,N'-bis-(3,3,3-trinitro-propyl)-oxamide45View
mol49N-(2,2-Dinitrobutyl)-4,4,4-trinitrobutanamide i101View
mol50Bis-(2,2,2-trinitro-ethyl)-4,4-dinitroheptanedioate i68View

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.