1.0 2020-04-06 11:03:49 UTC 2025-11-19 03:10:30 UTC FDB111660 1-Aminopyrene C16H11N 217.2652 217.089149357 pyren-1-amine 1-pyrenamine NC1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C=C4 InChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2 YZVWKHVRBDQPMQ-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrenes. Pyrenes are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system. Pyrenes Organic compounds Benzenoids Pyrenes Aromatic homopolycyclic compounds Hydrocarbon derivatives Naphthalenes Organopnictogen compounds Phenanthrenes and derivatives Primary amines Amine Aromatic homopolycyclic compound Hydrocarbon derivative Naphthalene Organic nitrogen compound Organonitrogen compound Organopnictogen compound Phenanthrene Primary amine Pyrene logp 4.26 ALOGPS logs -5.69 ALOGPS solubility 4.40e-04 g/l ALOGPS logp 3.46 ChemAxon pka_strongest_basic 3.97 ChemAxon iupac pyren-1-amine ChemAxon average_mass 217.2652 ChemAxon mono_mass 217.089149357 ChemAxon smiles NC1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C=C4 ChemAxon formula C16H11N ChemAxon inchi InChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2 ChemAxon inchikey YZVWKHVRBDQPMQ-UHFFFAOYSA-N ChemAxon polar_surface_area 26.02 ChemAxon refractivity 71.42 ChemAxon polarizability 24.33 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15268 Specdb::CMs 159394 Specdb::MsMs 299860 Specdb::MsMs 299861 Specdb::MsMs 299862 Specdb::MsMs 341995 Specdb::MsMs 341996 Specdb::MsMs 341997 Specdb::MsMs 2667235 Specdb::MsMs 2667236 Specdb::MsMs 2667237 Specdb::MsMs 3012137 Specdb::MsMs 3012138 Specdb::MsMs 3012139 HMDB0041793 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823