70552464 -OEChem-03282414552D 40 39 0 1 0 0 0 0 0999 V2000 7.4040 3.6065 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2690 4.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8671 6.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 7.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 5.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1771 6.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 7.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5571 7.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0380 7.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 7.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9641 6.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 5.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8110 4.9070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0380 5.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 3.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 4.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4040 3.6065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 2 8 1 0 0 0 0 2 36 1 0 0 0 0 3 16 1 0 0 0 0 3 38 1 0 0 0 0 4 18 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 19 1 0 0 0 0 8 13 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 17 2 0 0 0 0 15 35 1 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 M END > 70552464 > 1 > 239 > 4 > 5 > 4 > AAADceByMAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADLzhmAYyBoLAAgCAAiBCAAACAAAgIAAIiIAOiIgLNiKCkROEcAEk0BGZmAfQ8LcOIAABAAAAQABAAAIAAACAAAAAAAAAAA== > 4-[2-(tert-butylamino)-1-hydroxy-propyl]benzene-1,2-diol;hydrochloride > 4-[2-(tert-butylamino)-1-hydroxypropyl]benzene-1,2-diol;hydrochloride > 4-[2-(tert-butylamino)-1-hydroxypropyl]benzene-1,2-diol;hydrochloride > 4-[2-(tert-butylamino)-1-hydroxypropyl]benzene-1,2-diol;hydrochloride > 4-[2-(tert-butylamino)-1-oxidanyl-propyl]benzene-1,2-diol;hydrochloride > 4-[2-(tert-butylamino)-1-hydroxy-propyl]pyrocatechol;hydrochloride > InChI=1S/C13H21NO3.ClH/c1-8(14-13(2,3)4)12(17)9-5-6-10(15)11(16)7-9;/h5-8,12,14-17H,1-4H3;1H > VIFHGYFTDLABFP-UHFFFAOYSA-N > 275.1288213 > C13H22ClNO3 > 275.77 > CC(C(C1=CC(=C(C=C1)O)O)O)NC(C)(C)C.Cl > CC(C(C1=CC(=C(C=C1)O)O)O)NC(C)(C)C.Cl > 72.7 > 275.1288213 > 0 > 18 > 0 > 2 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 13 14 8 13 15 8 14 16 8 15 17 8 16 18 8 17 18 8 8 2 3 7 12 3 $$$$