Mrv1652304272018202D 9 9 0 0 0 0 999 V2000 -3.4100 -0.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6563 -1.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9889 -0.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2352 -0.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7018 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2169 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5678 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2169 -0.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5678 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 M END > CDB005439 > CDB > CCCCC1=NC=CN1 > InChI=1S/C7H12N2/c1-2-3-4-7-8-5-6-9-7/h5-6H,2-4H2,1H3,(H,8,9) > SLLDUURXGMDOCY-UHFFFAOYSA-N > C7H12N2 > 124.187 > 124.100048394 > 1 > 21 > 14.79421733281015 > 1 > 1 > 0 > 0 > 2-butyl-1H-imidazole > 2.21 > 1.5675137006666666 > -0.28 > 0 > 1 > 1 > 13.768614293601214 > 7.36315713917276 > 28.68 > 37.282399999999996 > 3 > 1 > 6.45e+01 g/l > 2-butyl-1H-imidazole > 1 > CDB005439 > 2-Butylimidazole $$$$