1.0 2020-04-20 17:32:40 UTC 2025-11-19 03:11:19 UTC FDB112183 Pantothenol C9H19NO4 205.2515 205.131408101 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide panthenol CC(C)(CO)C(O)C(=O)NCCCO InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14) SNPLKNRPJHDVJA-UHFFFAOYSA-N belongs to the class of organic compounds known as n-acyl amines. N-acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage. N-acyl amines Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty amides Aliphatic acyclic compounds Alkanolamines Carbonyl compounds Hydrocarbon derivatives Monosaccharides Organic oxides Organopnictogen compounds Primary alcohols Secondary alcohols Secondary carboxylic acid amides Alcohol Aliphatic acyclic compound Alkanolamine Carbonyl group Carboxamide group Carboxylic acid derivative Hydrocarbon derivative Monosaccharide N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Secondary alcohol Secondary carboxylic acid amide a small molecule logp -1.00 ALOGPS logs -0.23 ALOGPS solubility 1.21e+02 g/l ALOGPS logp -1.7 ChemAxon pka_strongest_acidic 12.69 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide ChemAxon average_mass 205.2515 ChemAxon mono_mass 205.131408101 ChemAxon smiles CC(C)(CO)C(O)C(=O)NCCCO ChemAxon formula C9H19NO4 ChemAxon inchi InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14) ChemAxon inchikey SNPLKNRPJHDVJA-UHFFFAOYSA-N ChemAxon polar_surface_area 89.79 ChemAxon refractivity 51.88 ChemAxon polarizability 21.87 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9836 Specdb::CMs 32127 Specdb::CMs 32128 Specdb::CMs 38736 Specdb::CMs 99842 Specdb::CMs 99843 Specdb::CMs 102686 Specdb::CMs 102687 Specdb::MsMs 46272 Specdb::MsMs 46273 Specdb::MsMs 46274 Specdb::MsMs 142872 Specdb::MsMs 142873 Specdb::MsMs 142874 Specdb::MsMs 439478 Specdb::MsMs 439482 Specdb::MsMs 449536 Specdb::MsMs 3218227 Specdb::MsMs 3218228 Specdb::MsMs 3218229 Specdb::MsMs 3610798 Specdb::MsMs 3610799 Specdb::MsMs 3610800 HMDB0004231 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