1.0 2010-04-08 22:09:31 UTC 2018-05-28 22:26:44 UTC FDB011200 3-Amino-1-methyl-5H-pyrido[4,3-b]indole Isolated from protein pyrolysates contg. tryptophan. Mutagenic potential food contaminant. 1-Methyl-3-amino-5H-pyrido(4,3-b)indole 1-Methyl-5H-pyrido(4,3-b)indol-3-amine 1-Methyl-5H-pyrido[3,4-b]indol-1-amine, 9CI 1-methyl-5H-pyrido[4,3-b]indol-3-amine 1-Methyl-9H-pyrido(4,3-b)indol-3-amine 3-AMINO-1-METHYL-5H-PYRIDO(4,3-B)INDOLE 3-Amino-1-methyl-gamma-carboline 5H-Pyrido(4,3-b)indol-3-amine, 1-methyl- 5H-Pyrido(4,3-b)indole, 3-amino-1-methyl- Rp-P-2 Trp-2 Trp-P-2 Trp-P2 Tryptophan P2 Tryptophan pyrolysis product II Tryptophan-P-2 Trytophan pyrolysate 2 C12H11N3 197.2358 197.095297367 1-methyl-5H-pyrido[4,3-b]indol-3-amine 1-methyl-5H-pyrido[4,3-b]indol-3-amine 62450-07-1 CC1=NC(N)=CC2=C1C1=CC=CC=C1N2 InChI=1S/C12H11N3/c1-7-12-8-4-2-3-5-9(8)15-10(12)6-11(13)14-7/h2-6,15H,1H3,(H2,13,14) LKKMLIBUAXYLOY-UHFFFAOYSA-N belongs to the class of organic compounds known as gamma carbolines. These are polycyclic aromatic compounds containing a gamma-carbazole(5H-pyrido[4,3-b]indole) moiety, with a structure characterized by the presence of pyridine fused to the pyrrole ring of an indole. Gamma carbolines Organic compounds Organoheterocyclic compounds Indoles and derivatives Pyridoindoles Aromatic heteropolycyclic compounds Aminopyridines and derivatives Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Indoles Methylpyridines Organopnictogen compounds Primary amines Pyrroles Pyrrolopyridines Amine Aminopyridine Aromatic heteropolycyclic compound Azacycle Benzenoid Gamma-carboline Heteroaromatic compound Hydrocarbon derivative Imidolactam Indole Methylpyridine Organic nitrogen compound Organonitrogen compound Organopnictogen compound Primary amine Pyridine Pyrrole Pyrrolopyridine pyridoindole logp 2.46 ALOGPS logs -3.15 ALOGPS solubility 1.40e-01 g/l ALOGPS melting_point Mp 242-247° (acetate salt) logp 1.77 ChemAxon pka_strongest_acidic 13.09 ChemAxon pka_strongest_basic 9.69 ChemAxon iupac 1-methyl-5H-pyrido[4,3-b]indol-3-amine ChemAxon average_mass 197.2358 ChemAxon mono_mass 197.095297367 ChemAxon smiles CC1=NC(N)=CC2=C1C1=CC=CC=C1N2 ChemAxon formula C12H11N3 ChemAxon inchi InChI=1S/C12H11N3/c1-7-12-8-4-2-3-5-9(8)15-10(12)6-11(13)14-7/h2-6,15H,1H3,(H2,13,14) ChemAxon inchikey LKKMLIBUAXYLOY-UHFFFAOYSA-N ChemAxon polar_surface_area 54.7 ChemAxon refractivity 60.92 ChemAxon polarizability 21.82 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18393 Specdb::CMs 26887 Specdb::CMs 101315 Specdb::CMs 164629 Specdb::MsIr 6032 Specdb::MsIr 6033 Specdb::MsIr 6034 Specdb::MsMs 63507 Specdb::MsMs 63508 Specdb::MsMs 63509 Specdb::MsMs 120465 Specdb::MsMs 120466 Specdb::MsMs 120467 Specdb::MsMs 2344193 Specdb::MsMs 2344194 Specdb::MsMs 2344195 Specdb::MsMs 2590603 Specdb::MsMs 2590604 Specdb::MsMs 2590605 HMDB33188 #<Reference:0x000055ce30f0bb18> #<Reference:0x000055ce30f0b960> #<Reference:0x000055ce30f0b7a8> #<Reference:0x000055ce30f0b5f0> #<Reference:0x000055ce30f0b438> #<Reference:0x000055ce30f0b280> #<Reference:0x000055ce30f0b0a0> #<Reference:0x000055ce30f0ae98> #<Reference:0x000055ce30f0ace0> #<Reference:0x000055ce30f0a970> #<Reference:0x000055ce30f0a7b8> #<Reference:0x000055ce30f0a600> #<Reference:0x000055ce30f0a448> #<Reference:0x000055ce30f0a290> #<Reference:0x000055ce30f09fc0>