1.0 2020-04-03 17:08:37 UTC 2020-04-03 17:08:39 UTC FDB098403 Xestoaminol C C14H31NO 229.408 229.240564622 (2S,3R)-2-aminotetradecan-3-ol xestoaminol C [H][C@@](C)(N)[C@]([H])(O)CCCCCCCCCCC InChI=1S/C14H31NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h13-14,16H,3-12,15H2,1-2H3/t13-,14+/m0/s1 WMUMHAZHWIUBPN-UONOGXRCSA-N belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom. 1,2-aminoalcohols Organic compounds Organic nitrogen compounds Organonitrogen compounds Amines Aliphatic acyclic compounds Hydrocarbon derivatives Monoalkylamines Organopnictogen compounds Secondary alcohols 1,2-aminoalcohol Alcohol Aliphatic acyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary alcohol Sphingoid base analogs amino alcohol sphingoid logp 4.59 ALOGPS logs -4.51 ALOGPS solubility 7.14e-03 g/l ALOGPS logp 4.04 ChemAxon pka_strongest_acidic 14.62 ChemAxon pka_strongest_basic 9.83 ChemAxon iupac (2S,3R)-2-aminotetradecan-3-ol ChemAxon average_mass 229.408 ChemAxon mono_mass 229.240564622 ChemAxon smiles [H][C@@](C)(N)[C@]([H])(O)CCCCCCCCCCC ChemAxon formula C14H31NO ChemAxon inchi InChI=1S/C14H31NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h13-14,16H,3-12,15H2,1-2H3/t13-,14+/m0/s1 ChemAxon inchikey WMUMHAZHWIUBPN-UONOGXRCSA-N ChemAxon polar_surface_area 46.25 ChemAxon refractivity 70.98 ChemAxon polarizability 31.16 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1328263 Specdb::MsMs 1328264 Specdb::MsMs 1328265 Specdb::MsMs 1442593 Specdb::MsMs 1442594 Specdb::MsMs 1442595 Specdb::MsMs 3610756 Specdb::MsMs 3610757 Specdb::MsMs 3610758 Specdb::MsMs 3610759 Specdb::MsMs 3610760 Specdb::MsMs 3610761 Milk (Cow) Type 2 specific