1.0 2011-09-21 01:50:03 UTC 2015-07-21 06:59:37 UTC FDB029096 1,2,3,4-Tetrahydroisoquinoline Tetrahydroisoquinoline is a secondary amine with the chemical formula C9H11N.Like other secondary amines, tetrahydroisoquinoline can be oxidized to the corresponding nitrone using hydrogen peroxide, catalyzed by selenium dioxide.The tetrahydroisoquinoline skeleton is commonly encountered in pharmaceutical drugs, notably quaternary ammonium muscle relaxants. Tetrahydroisoquinoline derivatives may be formed in the body as metabolites of some drugs, and this was once thought to be involved in the development of alcoholism.This theory has now been discredited and is no longer generally accepted by the scientific community, but endogenous production of neurotoxic tetrahydroisoquinoline derivatives such as norsalsolinol continue to be investigated as possible causes for some conditions such as Parkinson's disease.{from wiki) [HMDB] 1,2,3,4-Tetrahydro-2-azanaphthalene 1,2,3,4-Tetrahydro-2-isoquinoline 1,2,3,4-Tetrahydroisoquinoline 1,2,3,4-Tetrahydroleucoline Tetrahydroisoquinoline C9H11N 133.1903 133.089149357 1,2,3,4-tetrahydroisoquinoline tetrahydroisoquinoline 14099-81-1 C1CC2=C(CN1)C=CC=C2 InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2 UWYZHKAOTLEWKK-UHFFFAOYSA-N belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives. Tetrahydroisoquinolines Organic compounds Organoheterocyclic compounds Tetrahydroisoquinolines Aromatic heteropolycyclic compounds Aralkylamines Azacyclic compounds Benzenoids Dialkylamines Hydrocarbon derivatives Organopnictogen compounds Amine Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Secondary aliphatic amine Secondary amine Tetrahydroisoquinoline Solid logp 1.31 ALOGPS logs -1.44 ALOGPS solubility 4.81e+00 g/l ALOGPS logp 1.57 ChemAxon pka_strongest_basic 9.36 ChemAxon iupac 1,2,3,4-tetrahydroisoquinoline ChemAxon average_mass 133.1903 ChemAxon mono_mass 133.089149357 ChemAxon smiles C1CC2=C(CN1)C=CC=C2 ChemAxon formula C9H11N ChemAxon inchi InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2 ChemAxon inchikey UWYZHKAOTLEWKK-UHFFFAOYSA-N ChemAxon polar_surface_area 12.03 ChemAxon refractivity 42.62 ChemAxon polarizability 15.33 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 2780 Specdb::MsIr 2781 Specdb::MsIr 2782 Specdb::CMs 25569 Specdb::CMs 26857 Specdb::CMs 100019 Specdb::CMs 160940 Specdb::NmrOneD 97618 Specdb::NmrOneD 97619 Specdb::NmrOneD 97620 Specdb::NmrOneD 97621 Specdb::NmrOneD 97622 Specdb::NmrOneD 97623 Specdb::NmrOneD 97624 Specdb::NmrOneD 97625 Specdb::NmrOneD 97626 Specdb::NmrOneD 97627 Specdb::NmrOneD 97628 Specdb::NmrOneD 97629 Specdb::NmrOneD 97630 Specdb::NmrOneD 97631 Specdb::NmrOneD 97632 Specdb::NmrOneD 97633 Specdb::NmrOneD 97634 Specdb::NmrOneD 97635 Specdb::NmrOneD 97636 Specdb::NmrOneD 97637 Specdb::MsMs 96987 Specdb::MsMs 96988 Specdb::MsMs 96989 Specdb::MsMs 161613 Specdb::MsMs 161614 Specdb::MsMs 161615 Specdb::MsMs 2829439 Specdb::MsMs 2829440 Specdb::MsMs 2829441 Specdb::MsMs 2852200 Specdb::MsMs 2852201 Specdb::MsMs 2852202 HMDB12489