2.0 2015-09-08 17:48:47 -0600 2015-09-08 17:48:47 -0600 ECMDB24057 M2MDB006174 2-Hydroxyphenethylamine C8H11NO 137.179 137.084063979 2-amino-1-phenylethan-1-ol β phenylethanolamine NCC(O)C1=CC=CC=C1 InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2 ULSIYEODSMZIPX-UHFFFAOYSA-N logp 0.31 ALOGPS logs -0.81 ALOGPS solubility 2.14e+01 g/l ALOGPS logp 0.47 ChemAxon pka_strongest_acidic 14.13 ChemAxon pka_strongest_basic 9.13 ChemAxon iupac 2-amino-1-phenylethan-1-ol ChemAxon average_mass 137.179 ChemAxon mono_mass 137.084063979 ChemAxon smiles NCC(O)C1=CC=CC=C1 ChemAxon formula C8H11NO ChemAxon inchi InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2 ChemAxon inchikey ULSIYEODSMZIPX-UHFFFAOYSA-N ChemAxon polar_surface_area 46.25 ChemAxon refractivity 40.49 ChemAxon polarizability 15.18 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18883 Specdb::CMs 37912 Specdb::CMs 162516 Specdb::NmrOneD 1639 Specdb::NmrOneD 8522 Specdb::NmrOneD 8523 Specdb::NmrOneD 8524 Specdb::NmrOneD 8525 Specdb::NmrOneD 8526 Specdb::NmrOneD 8527 Specdb::NmrOneD 8528 Specdb::NmrOneD 8529 Specdb::NmrOneD 8530 Specdb::NmrOneD 8531 Specdb::NmrOneD 8532 Specdb::NmrOneD 8533 Specdb::NmrOneD 8534 Specdb::NmrOneD 8535 Specdb::NmrOneD 8536 Specdb::NmrOneD 8537 Specdb::NmrOneD 8538 Specdb::NmrOneD 8539 Specdb::NmrOneD 8540 Specdb::NmrOneD 8541 Specdb::NmrOneD 166622 Specdb::MsMs 1409 Specdb::MsMs 1410 Specdb::MsMs 1411 Specdb::MsMs 307939 Specdb::MsMs 307940 Specdb::MsMs 307941 Specdb::MsMs 352000 Specdb::MsMs 352001 Specdb::MsMs 352002 Specdb::MsMs 2227206 Specdb::MsMs 2227522 Specdb::MsMs 2229518 Specdb::MsMs 2229940 Specdb::MsMs 2231843 Specdb::MsMs 2232375 Specdb::MsMs 2234236 Specdb::MsMs 2234680 Specdb::MsMs 2252975 Specdb::MsMs 2253476 Specdb::MsMs 2259399 Specdb::MsMs 2409547 Specdb::MsMs 2409548 Specdb::MsMs 2409549 Specdb::MsMs 2553676 Specdb::MsMs 2553677 Specdb::NmrTwoD 1580