1.0 2010-04-08 22:10:26 UTC 2019-11-26 03:07:48 UTC FDB012942 Fabatin Constituent of Vicia faba. Fabatin is found in broad bean. C18H28N2O4S 368.49 368.176978564 bis((2S)-1-phenylpropan-2-amine); sulfuric acid bis(amphetamine); sulfuric acid 51-63-8 OS(O)(=O)=O.[H][C@@](C)(N)CC1=CC=CC=C1.[H][C@@](C)(N)CC1=CC=CC=C1 InChI=1S/2C9H13N.H2O4S/c2*1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4/h2*2-6,8H,7,10H2,1H3;(H2,1,2,3,4)/t2*8-;/m00./s1 PYHRZPFZZDCOPH-QXGOIDDHSA-N belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine. Amphetamines and derivatives Organic compounds Benzenoids Benzene and substituted derivatives Phenethylamines Aralkylamines Hydrocarbon derivatives Monoalkylamines Organic oxides Organic sulfuric acids Organopnictogen compounds Phenylpropanes Amine Amphetamine or derivatives Aralkylamine Aromatic homomonocyclic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfuric acid or derivatives Organonitrogen compound Organopnictogen compound Phenylpropane Primary aliphatic amine Primary amine Sulfuric acid amphetamine sulfate logp 1.85 ALOGPS logs -1.89 ALOGPS solubility 1.74e+00 g/l ALOGPS logp 1.8 ChemAxon pka_strongest_basic 10.01 ChemAxon iupac bis((2S)-1-phenylpropan-2-amine); sulfuric acid ChemAxon average_mass 368.49 ChemAxon mono_mass 368.176978564 ChemAxon smiles OS(O)(=O)=O.[H][C@@](C)(N)CC1=CC=CC=C1.[H][C@@](C)(N)CC1=CC=CC=C1 ChemAxon formula C18H28N2O4S ChemAxon inchi InChI=1S/2C9H13N.H2O4S/c2*1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4/h2*2-6,8H,7,10H2,1H3;(H2,1,2,3,4)/t2*8-;/m00./s1 ChemAxon inchikey PYHRZPFZZDCOPH-QXGOIDDHSA-N ChemAxon polar_surface_area 26.02 ChemAxon refractivity 43.71 ChemAxon polarizability 16.08 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 103881 Specdb::MsMs 103882 Specdb::MsMs 103883 Specdb::MsMs 170037 Specdb::MsMs 170038 Specdb::MsMs 170039 Broad bean Type 1 specific Vicia faba 3906 anti bacterial 145 A substance that kills or slows the growth of bacteria. Gram(-)icide 963 A substance that kills or slows the growth of bacteria. Gram(+)icide 962 A substance that kills or slows the growth of bacteria. pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.