3007 -OEChem-10051719093D 23 23 0 1 0 0 0 0 0999 V2000 -3.5849 -0.4599 0.1218 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2239 -0.1762 -0.3436 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2222 -0.4574 0.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2121 -0.2349 0.4021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1745 1.2729 -0.8278 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9484 -1.2846 -0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7852 1.0179 0.5809 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2797 -1.0783 -0.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1164 1.2243 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8637 0.1762 -0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0069 -0.8349 -1.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3381 -1.4935 1.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 0.1652 1.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2278 1.4959 -1.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3048 1.9800 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9665 1.4674 -1.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5027 -2.2651 -0.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2158 1.8413 1.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6534 -1.4374 0.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2436 -0.3352 -0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8614 -1.8941 -0.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5715 2.2008 0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9002 0.3369 -0.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 7 9 2 0 0 0 0 7 18 1 0 0 0 0 8 10 2 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 M END > DB00182 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KWTSXDURSIMDCE-UHFFFAOYSA-N/SDF?record_type=3d > CC(N)CC1=CC=CC=C1 > InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3 > KWTSXDURSIMDCE-UHFFFAOYSA-N > C9H13N > 135.2062 > 135.104799421 > 1 > 23 > 0.9990336281083082 > 16.17473888567587 > 1 > 1 > 0 > 0 > 1-phenylpropan-2-amine > 1.85 > 1.8042504816666665 > -1.89 > 0 > 1 > 1 > 1 > 10.01443581771614 > 26.02 > 43.7052 > 2 > 1 > 1.74e+00 g/l > tetrahydrofolic acid > 1 $$$$