1.0 2010-04-08 22:04:46 UTC 2020-02-24 19:10:17 UTC FDB000940 1H-Indole-3-methanamine Detected in Hordeum vulgare (barley). 1H-Indole-3-methanamine is found in barley and cereals and cereal products. 1H-indol-3-Ylmethanamine 3-(Aminomethyl)indole 3-Aminomethylindole 3-Indolylmethylamine AMI C9H10N2 146.1891 146.08439833 (1H-indol-3-yl)methanamine 1H-indol-3-ylmethanamine 22259-53-6 NCC1=CNC2=CC=CC=C12 InChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2 JXYGLMATGAAIBU-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 Heteroaromatic compounds Hydrocarbon derivatives Monoalkylamines Organopnictogen compounds Substituted pyrroles 3-alkylindole Amine Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Primary aliphatic amine Primary amine Pyrrole Substituted pyrrole aminoalkylindole aralkylamino compound logp 1.03 ALOGPS logs -1.56 ALOGPS solubility 4.03e+00 g/l ALOGPS melting_point Mp 104-107° logp 1.2 ChemAxon pka_strongest_acidic 15.98 ChemAxon pka_strongest_basic 9.53 ChemAxon iupac (1H-indol-3-yl)methanamine ChemAxon average_mass 146.1891 ChemAxon mono_mass 146.08439833 ChemAxon smiles NCC1=CNC2=CC=CC=C12 ChemAxon formula C9H10N2 ChemAxon inchi InChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2 ChemAxon inchikey JXYGLMATGAAIBU-UHFFFAOYSA-N ChemAxon polar_surface_area 41.81 ChemAxon refractivity 45.62 ChemAxon polarizability 16.32 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 159250 Specdb::NmrOneD 159251 Specdb::NmrOneD 159252 Specdb::NmrOneD 159253 Specdb::NmrOneD 159254 Specdb::NmrOneD 159255 Specdb::NmrOneD 159256 Specdb::NmrOneD 159257 Specdb::NmrOneD 159258 Specdb::NmrOneD 159259 Specdb::NmrOneD 159260 Specdb::NmrOneD 159261 Specdb::NmrOneD 159262 Specdb::NmrOneD 159263 Specdb::NmrOneD 159264 Specdb::NmrOneD 159265 Specdb::NmrOneD 159266 Specdb::NmrOneD 159267 Specdb::NmrOneD 159268 Specdb::NmrOneD 159269 Specdb::MsMs 61959 Specdb::MsMs 61960 Specdb::MsMs 61961 Specdb::MsMs 118596 Specdb::MsMs 118597 Specdb::MsMs 118598 Specdb::MsMs 2300817 Specdb::MsMs 2300818 Specdb::MsMs 2300819 Specdb::MsMs 3064652 Specdb::MsMs 3064653 Specdb::MsMs 3064654 Specdb::CMs 24132 Specdb::CMs 136282 Specdb::CMs 144016 Specdb::MsIr 3671 Specdb::MsIr 3672 Specdb::MsIr 3673 HMDB29740 #<Reference:0x000055ce325133c0> Barley Type 1 specific Hordeum vulgare 4513 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic