1.0 2011-09-21 01:45:17 UTC 2015-07-21 06:59:32 UTC FDB028810 3,4-Dihydroxybenzylamine 3,4-Dihydroxybenzylamine is an alternative substrates for dopamine that is a member of the catecholamine family in the brain, and is a precursor to epinephrine and norepinephrine. Catecholamines contain a catechol group, and are derived from the amino acid and tyrosine. They are produced mainly by the chromaffin cells of the adrenal medulla and the postganglionic fibers of the sympathetic nervous system. Catecholamine synthesis is inhibited by alpha-Methyltyrosine, by inhibiting tyrosine-3 monooxygenase.Wikipedia [HMDB] 4-(aminomethyl)-1,2-Benzenediol 4-(Aminomethyl)pyrocatechol hydrobromide C7H9NO2 139.1519 139.063328537 4-(aminomethyl)benzene-1,2-diol 3,4-dihydroxybenzylamine 37491-68-2 NCC1=CC=C(O)C(O)=C1 InChI=1S/C7H9NO2/c8-4-5-1-2-6(9)7(10)3-5/h1-3,9-10H,4,8H2 YFMPSMITLLBENU-UHFFFAOYSA-N belongs to the class of organic compounds known as catechols. Catechols are compounds containing a 1,2-benzenediol moiety. Catechols Organic compounds Benzenoids Phenols Benzenediols Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Benzylamines Hydrocarbon derivatives Monoalkylamines Organooxygen compounds Organopnictogen compounds Phenylmethylamines 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Amine Aralkylamine Aromatic homomonocyclic compound Benzylamine Catechol Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylmethylamine Primary aliphatic amine Primary amine Solid logp -0.94 ALOGPS logs -0.56 ALOGPS solubility 3.84e+01 g/l ALOGPS logp -0.066 ChemAxon pka_strongest_acidic 9.61 ChemAxon pka_strongest_basic 8.78 ChemAxon iupac 4-(aminomethyl)benzene-1,2-diol ChemAxon average_mass 139.1519 ChemAxon mono_mass 139.063328537 ChemAxon smiles NCC1=CC=C(O)C(O)=C1 ChemAxon formula C7H9NO2 ChemAxon inchi InChI=1S/C7H9NO2/c8-4-5-1-2-6(9)7(10)3-5/h1-3,9-10H,4,8H2 ChemAxon inchikey YFMPSMITLLBENU-UHFFFAOYSA-N ChemAxon polar_surface_area 66.48 ChemAxon refractivity 38.49 ChemAxon polarizability 14.19 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 2669 Specdb::MsIr 2670 Specdb::MsIr 2671 Specdb::CMs 1591 Specdb::CMs 1657 Specdb::CMs 12840 Specdb::CMs 31560 Specdb::CMs 31561 Specdb::CMs 39837 Specdb::CMs 151847 Specdb::NmrOneD 151330 Specdb::NmrOneD 151331 Specdb::NmrOneD 151332 Specdb::NmrOneD 151333 Specdb::NmrOneD 151334 Specdb::NmrOneD 151335 Specdb::NmrOneD 151336 Specdb::NmrOneD 151337 Specdb::NmrOneD 151338 Specdb::NmrOneD 151339 Specdb::NmrOneD 151340 Specdb::NmrOneD 151341 Specdb::NmrOneD 151342 Specdb::NmrOneD 151343 Specdb::NmrOneD 151344 Specdb::NmrOneD 151345 Specdb::NmrOneD 151346 Specdb::NmrOneD 151347 Specdb::NmrOneD 151348 Specdb::NmrOneD 151349 Specdb::MsMs 294190 Specdb::MsMs 294191 Specdb::MsMs 294192 Specdb::MsMs 334846 Specdb::MsMs 334847 Specdb::MsMs 334848 Specdb::MsMs 2778536 Specdb::MsMs 2778537 Specdb::MsMs 2778538 Specdb::MsMs 2903520 Specdb::MsMs 2903521 Specdb::MsMs 2903522 HMDB12153 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823