1.0 2016-09-30 23:22:01 UTC 2020-04-22 15:17:26 UTC BMDB0006409 BMDB06409 Tyramine-O-sulfate [4-(2-Aminoethyl)phenyl]oxidanesulfonic acid Tyramine O-sulfate Tyramine O-sulphate Tyramine sulphate [4-(2-Aminoethyl)phenyl]oxidanesulfonate [4-(2-Aminoethyl)phenyl]oxidanesulphonate [4-(2-Aminoethyl)phenyl]oxidanesulphonic acid Tyramine O-sulfuric acid Tyramine O-sulphuric acid Tyramine sulfate Tyramine sulfuric acid Tyramine sulphuric acid Tyramine-O-sulfuric acid Tyramine-O-sulphate Tyramine-O-sulphuric acid 4-(2-Aminoethyl)-phenol(hydrogen sulfate) 4-(2-Aminoethyl)-phenol(hydrogen sulphate) C8H11NO4S 217.242 217.040878535 [4-(2-aminoethyl)phenyl]oxidanesulfonic acid tyramine O-sulfate 30223-92-8 NCCC1=CC=C(OS(O)(=O)=O)C=C1 InChI=1S/C8H11NO4S/c9-6-5-7-1-3-8(4-2-7)13-14(10,11)12/h1-4H,5-6,9H2,(H,10,11,12) DYDUXGMDSXJQFT-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. Organic compounds Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Phenylsulfates 2-arylethylamines Aralkylamines Hydrocarbon derivatives Monoalkylamines Organic oxides Organooxygen compounds Organopnictogen compounds Phenethylamines Phenoxy compounds Sulfuric acid monoesters 2-arylethylamine Amine Aralkylamine Aromatic homomonocyclic compound Benzenoid Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenethylamine Phenoxy compound Phenylsulfate Primary aliphatic amine Primary amine Sulfate-ester Sulfuric acid ester Sulfuric acid monoester Aromatic homomonocyclic compounds Solid logp -1.19 ALOGPS logs -2.13 ALOGPS logp -0.4 ChemAxon pka_strongest_acidic -1.9 ChemAxon pka_strongest_basic 9.8 ChemAxon iupac [4-(2-aminoethyl)phenyl]oxidanesulfonic acid ChemAxon average_mass 217.242 ChemAxon mono_mass 217.040878535 ChemAxon smiles NCCC1=CC=C(OS(O)(=O)=O)C=C1 ChemAxon formula C8H11NO4S ChemAxon inchi InChI=1S/C8H11NO4S/c9-6-5-7-1-3-8(4-2-7)13-14(10,11)12/h1-4H,5-6,9H2,(H,10,11,12) ChemAxon inchikey DYDUXGMDSXJQFT-UHFFFAOYSA-N ChemAxon polar_surface_area 89.62 ChemAxon refractivity 51.26 ChemAxon polarizability 20.62 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 312262 Specdb::MsMs 312263 Specdb::MsMs 312264 Specdb::MsMs 357472 Specdb::MsMs 357473 Specdb::MsMs 357474 Specdb::MsMs 2377019 Specdb::MsMs 2377020 Specdb::MsMs 2377021 Specdb::MsMs 2561187 Specdb::MsMs 2561188 Specdb::MsMs 2561189 Specdb::CMs 20768 Specdb::CMs 156659 Specdb::NmrOneD 74412 Specdb::NmrOneD 74413 Specdb::NmrOneD 74414 Specdb::NmrOneD 74415 Specdb::NmrOneD 74416 Specdb::NmrOneD 74417 Specdb::NmrOneD 74418 Specdb::NmrOneD 74419 Specdb::NmrOneD 74420 Specdb::NmrOneD 74421 Specdb::NmrOneD 74422 Specdb::NmrOneD 74423 Specdb::NmrOneD 74424 Specdb::NmrOneD 74425 Specdb::NmrOneD 74426 Specdb::NmrOneD 74427 Specdb::NmrOneD 74428 Specdb::NmrOneD 74429 Specdb::NmrOneD 74430 Specdb::NmrOneD 74431 FDB023914 134849 153005 DBSALT002212 133530 2320878