1.0 2011-09-21 00:19:47 UTC 2018-05-28 18:34:01 UTC FDB022799 1-Phenylethylamine 1-Phenylethylamine, or alpha-phenethylamine, is an amine. Individual enantiomers of this basic compound are useful for performing chiral resolution of acidic compounds by forming diastereomeric salts. -- Wikipedia [HMDB] (1-Aminoethyl)benzene 1-Amino-1-phenylethane 1-Fenylethylamin 1-Phenyl-1-ethanamine 1-Phenylethanamine 1-Phenylethylamine a-aminoethylbenzene a-methylbenzenemethanamine a-methylbenzylamine a-phenethylamine a-phenylethylamine alpha-aminoethylbenzene alpha-methylbenzenemethanamine Alpha-methylbenzylamine alpha-phenethylamine Alpha-phenylethylamine Sumine 2079 α-aminoethylbenzene α-methylbenzenemethanamine α-methylbenzylamine α-phenylethylamine C8H11N 121.1796 121.089149357 1-phenylethan-1-amine (+/-)-α-methylbenzylamine 98-84-0 CC(N)C1=CC=CC=C1 InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3 RQEUFEKYXDPUSK-UHFFFAOYSA-N belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group. Aralkylamines Organic compounds Organic nitrogen compounds Organonitrogen compounds Amines Aromatic homomonocyclic compounds Benzene and substituted derivatives Hydrocarbon derivatives Monoalkylamines Organopnictogen compounds Aralkylamine Aromatic homomonocyclic compound Benzenoid Hydrocarbon derivative Monocyclic benzene moiety Organopnictogen compound Primary aliphatic amine Primary amine phenylethylamine Solid logp 1.36 ALOGPS logs -1.51 ALOGPS solubility 3.70e+00 g/l ALOGPS logp 1.52 ChemAxon pka_strongest_basic 9.73 ChemAxon iupac 1-phenylethan-1-amine ChemAxon average_mass 121.1796 ChemAxon mono_mass 121.089149357 ChemAxon smiles CC(N)C1=CC=CC=C1 ChemAxon formula C8H11N ChemAxon inchi InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3 ChemAxon inchikey RQEUFEKYXDPUSK-UHFFFAOYSA-N ChemAxon polar_surface_area 26.02 ChemAxon refractivity 38.95 ChemAxon polarizability 14.19 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 802 Specdb::CMs 803 Specdb::CMs 24523 Specdb::CMs 28074 Specdb::CMs 28123 Specdb::CMs 30020 Specdb::CMs 30022 Specdb::CMs 30718 Specdb::CMs 30719 Specdb::CMs 146615 Specdb::MsIr 1532 Specdb::MsIr 1533 Specdb::MsIr 1534 Specdb::NmrOneD 148760 Specdb::NmrOneD 148761 Specdb::NmrOneD 148762 Specdb::NmrOneD 148763 Specdb::NmrOneD 148764 Specdb::NmrOneD 148765 Specdb::NmrOneD 148766 Specdb::NmrOneD 148767 Specdb::NmrOneD 148768 Specdb::NmrOneD 148769 Specdb::NmrOneD 148770 Specdb::NmrOneD 148771 Specdb::NmrOneD 148772 Specdb::NmrOneD 148773 Specdb::NmrOneD 148774 Specdb::NmrOneD 148775 Specdb::NmrOneD 148776 Specdb::NmrOneD 148777 Specdb::NmrOneD 148778 Specdb::NmrOneD 148779 Specdb::MsMs 1947 Specdb::MsMs 1948 Specdb::MsMs 1949 Specdb::MsMs 5671 Specdb::MsMs 5672 Specdb::MsMs 320236 Specdb::MsMs 320237 Specdb::MsMs 320238 Specdb::MsMs 367573 Specdb::MsMs 367574 Specdb::MsMs 367575 Specdb::MsMs 2761285 Specdb::MsMs 2761286 Specdb::MsMs 2761287 Specdb::MsMs 2945232 Specdb::MsMs 2945233 Specdb::MsMs 2945234 HMDB02017 670 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 Aromatic-L-amino-acid decarboxylase P20711 DDC