1.0 2010-04-08 22:09:37 UTC 2015-07-20 22:40:08 UTC FDB011404 Benzyl glycinate 4-methylbenzenesulfonate salt Antioxidant in foodstuffs Benzyl glycinate 4-methylbenzenesulfonate salt Benzyl glycinate p-toluenesulfonate salt Glycine benzyl ester p-toluenesulfonate salt O-Benzylglycine toluene-P-sulphonate p-Tosylglycine benzyl ester C16H19NO5S 337.391 337.098393413 4-methylbenzene-1-sulfonic acid; benzyl 2-aminoacetate benzyl 2-aminoacetate; toluenesulfonic acid 1738-76-7 CC1=CC=C(C=C1)S(O)(=O)=O.NCC(=O)OCC1=CC=CC=C1 InChI=1S/C9H11NO2.C7H8O3S/c10-6-9(11)12-7-8-4-2-1-3-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-7,10H2;2-5H,1H3,(H,8,9,10) WJKJXKRHMUXQSL-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. Alpha amino acid esters Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Benzyloxycarbonyls Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Alpha-amino acid ester Amine Aromatic homomonocyclic compound Benzenoid Benzyloxycarbonyl Carbonyl group Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine melting_point Mp 132-134° logp 0.72 ChemAxon pka_strongest_basic 7.09 ChemAxon iupac 4-methylbenzene-1-sulfonic acid; benzyl 2-aminoacetate ChemAxon average_mass 337.391 ChemAxon mono_mass 337.098393413 ChemAxon smiles CC1=CC=C(C=C1)S(O)(=O)=O.NCC(=O)OCC1=CC=CC=C1 ChemAxon formula C16H19NO5S ChemAxon inchi InChI=1S/C9H11NO2.C7H8O3S/c10-6-9(11)12-7-8-4-2-1-3-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-7,10H2;2-5H,1H3,(H,8,9,10) ChemAxon inchikey WJKJXKRHMUXQSL-UHFFFAOYSA-N ChemAxon polar_surface_area 52.32 ChemAxon refractivity 45.39 ChemAxon polarizability 17.35 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 54666 Specdb::MsMs 54667 Specdb::MsMs 54668 Specdb::MsMs 115719 Specdb::MsMs 115720 Specdb::MsMs 115721 HMDB33374 #<Reference:0x000055ce319df8a0>