1.0 2016-09-30 22:42:18 UTC 2020-04-22 15:07:03 UTC BMDB0001189 BMDB01189 2(N)-Methyl-norsalsolinol 1,2,3,4-tetrahydro-2-Methyl-6,7-isoquinolinediol 2-Methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline 2-Methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline hydrobromide NMNSAL 2-MDTIQ 2-Methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline hydrochloride N-Methylnorsalsolinol C10H13NO2 179.2157 179.094628665 2-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol 2(N)-methyl-norsalsolinol 63937-92-8 CN1CCC2=CC(O)=C(O)C=C2C1 InChI=1S/C10H13NO2/c1-11-3-2-7-4-9(12)10(13)5-8(7)6-11/h4-5,12-13H,2-3,6H2,1H3 WETXYFNVBDLWIW-UHFFFAOYSA-N belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives. Organic compounds Organoheterocyclic compounds Tetrahydroisoquinolines Tetrahydroisoquinolines 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Trialkylamines 1-hydroxy-2-unsubstituted benzenoid Amine Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Tertiary aliphatic amine Tertiary amine Tetrahydroisoquinoline Aromatic heteropolycyclic compounds Solid logp 0.59 ALOGPS logs -0.68 ALOGPS logp 1.35 ChemAxon pka_strongest_acidic 9.43 ChemAxon pka_strongest_basic 7.47 ChemAxon iupac 2-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol ChemAxon average_mass 179.2157 ChemAxon mono_mass 179.094628665 ChemAxon smiles CN1CCC2=CC(O)=C(O)C=C2C1 ChemAxon formula C10H13NO2 ChemAxon inchi InChI=1S/C10H13NO2/c1-11-3-2-7-4-9(12)10(13)5-8(7)6-11/h4-5,12-13H,2-3,6H2,1H3 ChemAxon inchikey WETXYFNVBDLWIW-UHFFFAOYSA-N ChemAxon polar_surface_area 43.7 ChemAxon refractivity 51.87 ChemAxon polarizability 19.56 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 19721 Specdb::CMs 37966 Specdb::CMs 171649 Specdb::MsMs 309874 Specdb::MsMs 309875 Specdb::MsMs 309876 Specdb::MsMs 354424 Specdb::MsMs 354425 Specdb::MsMs 354426 Specdb::MsMs 2409976 Specdb::MsMs 2409977 Specdb::MsMs 2409978 Specdb::MsMs 2555551 Specdb::MsMs 2555552 Specdb::MsMs 2555553 Specdb::MsIr 1124 Specdb::MsIr 1125 Specdb::MsIr 1126 Specdb::NmrOneD 146750 Specdb::NmrOneD 146751 Specdb::NmrOneD 146752 Specdb::NmrOneD 146753 Specdb::NmrOneD 146754 Specdb::NmrOneD 146755 Specdb::NmrOneD 146756 Specdb::NmrOneD 146757 Specdb::NmrOneD 146758 Specdb::NmrOneD 146759 Specdb::NmrOneD 146760 Specdb::NmrOneD 146761 Specdb::NmrOneD 146762 Specdb::NmrOneD 146763 Specdb::NmrOneD 146764 Specdb::NmrOneD 146765 Specdb::NmrOneD 146766 Specdb::NmrOneD 146767 Specdb::NmrOneD 146768 Specdb::NmrOneD 146769 FDB022477 37764 34632 767276