1.0 2010-04-08 22:13:19 UTC 2019-11-26 03:15:16 UTC FDB017815 N-Norgramine Detected in Hordeum vulgare (barley). N-Norgramine is found in barley and cereals and cereal products. 3-(Methylaminomethyl)indole N-Norgramine C10H12N2 160.2157 160.100048394 (1H-indol-3-ylmethyl)(methyl)amine (1H-indol-3-ylmethyl)(methyl)amine CNCC1=CNC2=CC=CC=C12 InChI=1S/C10H12N2/c1-11-6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,11-12H,6H2,1H3 BIFJNBXQXNWYOL-UHFFFAOYSA-N belongs to the class of organic compounds known as 3-alkylindoles. 3-alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position. 3-alkylindoles Organic compounds Organoheterocyclic compounds Indoles and derivatives Indoles Aromatic heteropolycyclic compounds Aralkylamines Azacyclic compounds Benzenoids Dialkylamines Heteroaromatic compounds Hydrocarbon derivatives Organopnictogen compounds Substituted pyrroles 3-alkylindole Amine Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Pyrrole Secondary aliphatic amine Secondary amine Substituted pyrrole logp 1.55 ALOGPS logs -2.22 ALOGPS solubility 9.59e-01 g/l ALOGPS logp 1.63 ChemAxon pka_strongest_acidic 15.98 ChemAxon pka_strongest_basic 9.86 ChemAxon iupac (1H-indol-3-ylmethyl)(methyl)amine ChemAxon average_mass 160.2157 ChemAxon mono_mass 160.100048394 ChemAxon smiles CNCC1=CNC2=CC=CC=C12 ChemAxon formula C10H12N2 ChemAxon inchi InChI=1S/C10H12N2/c1-11-6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,11-12H,6H2,1H3 ChemAxon inchikey BIFJNBXQXNWYOL-UHFFFAOYSA-N ChemAxon polar_surface_area 27.82 ChemAxon refractivity 50.39 ChemAxon polarizability 18.44 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22471 Specdb::CMs 152624 Specdb::MsMs 57984 Specdb::MsMs 57985 Specdb::MsMs 57986 Specdb::MsMs 113814 Specdb::MsMs 113815 Specdb::MsMs 113816 Specdb::MsMs 2303145 Specdb::MsMs 2303146 Specdb::MsMs 2303147 Specdb::MsMs 3065525 Specdb::MsMs 3065526 Specdb::MsMs 3065527 Specdb::MsIr 7945 Specdb::MsIr 7946 Specdb::MsIr 7947 HMDB38456 #<Reference:0x000055ce30595bd8> Barley Type 1 specific Hordeum vulgare 4513 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic