2.0 2015-09-08 17:48:55 -0600 2015-09-08 17:48:55 -0600 ECMDB24068 M2MDB006185 N-Methylphenylethanolamine C9H13NO 151.2056 151.099714043 2-(methylamino)-1-phenylethan-1-ol halostachine CNCC(O)C1=CC=CC=C1 InChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3 ZCTYHONEGJTYQV-UHFFFAOYSA-N logp 0.73 ALOGPS logs -0.90 ALOGPS solubility 1.91e+01 g/l ALOGPS logp 0.9 ChemAxon pka_strongest_acidic 14.12 ChemAxon pka_strongest_basic 9.43 ChemAxon iupac 2-(methylamino)-1-phenylethan-1-ol ChemAxon average_mass 151.2056 ChemAxon mono_mass 151.099714043 ChemAxon smiles CNCC(O)C1=CC=CC=C1 ChemAxon formula C9H13NO ChemAxon inchi InChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3 ChemAxon inchikey ZCTYHONEGJTYQV-UHFFFAOYSA-N ChemAxon polar_surface_area 32.26 ChemAxon refractivity 45.27 ChemAxon polarizability 17.26 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22800 Specdb::CMs 32242 Specdb::CMs 32243 Specdb::CMs 38048 Specdb::CMs 99679 Specdb::CMs 99680 Specdb::CMs 175101 Specdb::NmrOneD 297375 Specdb::NmrOneD 297376 Specdb::NmrOneD 297377 Specdb::NmrOneD 297378 Specdb::NmrOneD 297379 Specdb::NmrOneD 297380 Specdb::NmrOneD 297381 Specdb::NmrOneD 297382 Specdb::NmrOneD 297383 Specdb::NmrOneD 297384 Specdb::NmrOneD 297385 Specdb::NmrOneD 297386 Specdb::NmrOneD 297387 Specdb::NmrOneD 297388 Specdb::NmrOneD 297389 Specdb::NmrOneD 297390 Specdb::NmrOneD 297391 Specdb::NmrOneD 297392 Specdb::NmrOneD 297393 Specdb::NmrOneD 297394 Specdb::MsMs 26009 Specdb::MsMs 26010 Specdb::MsMs 26011 Specdb::MsMs 32567 Specdb::MsMs 32568 Specdb::MsMs 32569 Specdb::MsMs 2425519 Specdb::MsMs 2425520 Specdb::MsMs 2425521 Specdb::MsMs 2510635 Specdb::MsMs 2510636 Specdb::MsMs 2510637