Mrv0541 02231218552D 6 5 0 0 0 0 999 V2000 -0.3562 0.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3562 -0.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0726 -0.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0726 0.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 0.2046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 -0.2046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 M END > M2MDB000246 > M2MDB > NCCCC=O > InChI=1S/C4H9NO/c5-3-1-2-4-6/h4H,1-3,5H2 > DZQLQEYLEYWJIB-UHFFFAOYSA-N > C4H9NO > 87.1204 > 87.068413915 > 2 > 9.71572746213239 > 1 > 1 > 0 > 0 > 4-aminobutanal > -0.73 > -0.780417868 > 0.47 > 0 > 0 > 1 > 14.828866437700317 > 9.792866479907637 > 43.09 > 24.532400000000003 > 3 > 1 > 2.59e+02 g/l > ω-aminoaldehyde > 0 > ECMDB01080 > 4-Aminobutyraldehyde $$$$