{"ymdb_id":"YMDB01327","created_at":"2011-07-25T20:18:00.000Z","updated_at":"2016-09-08T18:36:32.000Z","name":"2-Amino-2-methyl-1,3-propanediol","cas":"115-69-5","state":"Solid","melting_point":"110 oC","description":"2-Amino-2-methyl-1,3-propanediol is an amino alcohol found in wine and produced during fermentation.","experimental_water_solubility":"1000 mg/mL at 25 oC [BEILSTEIN]","experimental_logp_hydrophobicity":null,"location":"extracellular","synthesis_reference":null,"chebi_id":"991","hmdb_id":null,"kegg_id":"C11260","pubchem_id":"1531","cs_id":"1477","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-amino-2-methylpropane-1,3-diol","traditional_iupac":"AMPD","logp":"-1.6653191509999998","pka":"15.119059066226804","alogps_solubility":"7.72e+02 g/l","alogps_logp":"-1.41","alogps_logs":"0.87","acceptor_count":"3","donor_count":"3","rotatable_bond_count":"2","polar_surface_area":"66.48","refractivity":"26.811799999999998","polarizability":"11.14135019200501","formal_charge":"0","physiological_charge":"1","pka_strongest_basic":"9.478188116499958","pka_strongest_acidic":"14.420516307904318","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["1,1-Di(hydroxymethyl)ethylamine","1,3-Dihydroxy-2-methyl-2-propylamine","1,3-Propanediol, 2-amino-2-methyl-","2-Amino-2-ethyl-1,3-propanediol","2-Amino-2-methyl-1,3-propandiol","2-amino-2-methyl-1,3-propanediol","2-Amino-2-methylpropan-1,3-diol","2-Amino-2-methylpropane-1,3-diol","2-Amino-2-methylpropanediol","Aminoglycol","Aminomethyl propanediol","AMPD","Gentimon","Isobutandiol-2-amine","pentaerythritol dichlorohydrin"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":20151225,"citation":"Tsakiris, A., Koutinas, A. A., Psarianos, C., Kourkoutas, Y., Bekatorou, A. (2010). \"A new process for wine production by penetration of yeast in uncrushed frozen grapes.\" Appl Biochem Biotechnol 162:1109-1121."}],"proteins":[]}