1.0 2010-04-08 22:08:04 UTC 2025-11-18 23:10:19 UTC FDB008426 Thiamine mononitrate Nutrient supplement, used for the enrichment of flour mixes [DFC] Thiamine mononitrate is a synthetic form of vitamin B1. [Wikipedia]. Aneurine mononitrate Aneurine nitrate Betabion mononitrate Thiamine mononitrate, USAN Thiamine nitrate Thiamine nitrate (salt) (8CI) Vitamin B1 mononitrate Vitamin B1 nitrate C12H17N5O4S 327.359 327.100124747 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium nitrate thiamine nitrate 532-43-4 [O-]N(=O)=O.CC1=C(CCO)SC=[N+]1CC1=C(N)N=C(C)N=C1 InChI=1S/C12H17N4OS.NO3/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;2-1(3)4/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);/q+1;-1 UIERGBJEBXXIGO-UHFFFAOYSA-N belongs to the class of organic compounds known as thiamines. Thiamines are compounds containing a thiamine moiety, which is structurally characterized by a 3-[(4-Amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-5-yl backbone. Thiamines Organic compounds Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Aromatic heteromonocyclic compounds 4,5-disubstituted thiazoles Aminopyrimidines and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Organic nitrates Organic nitric acids Organic nitro compounds Organic oxides Organic salts Organopnictogen compounds Primary alcohols Primary amines 4,5-disubstituted 1,3-thiazole Alcohol Allyl-type 1,3-dipolar organic compound Amine Aminopyrimidine Aromatic heteromonocyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Imidolactam Organic 1,3-dipolar compound Organic nitrate Organic nitric acid Organic nitric acid or derivatives Organic nitro compound Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Primary amine Thiamine Thiazole logp 0.01 ALOGPS logs -4.09 ALOGPS solubility 2.65e-02 g/l ALOGPS melting_point Mp 196-200° logp -3.1 ChemAxon pka_strongest_acidic 15.5 ChemAxon pka_strongest_basic 5.54 ChemAxon iupac 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium nitrate ChemAxon average_mass 327.359 ChemAxon mono_mass 327.100124747 ChemAxon smiles [O-]N(=O)=O.CC1=C(CCO)SC=[N+]1CC1=C(N)N=C(C)N=C1 ChemAxon formula C12H17N5O4S ChemAxon inchi InChI=1S/C12H17N4OS.NO3/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;2-1(3)4/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);/q+1;-1 ChemAxon inchikey UIERGBJEBXXIGO-UHFFFAOYSA-N ChemAxon polar_surface_area 75.91 ChemAxon refractivity 73.4 ChemAxon polarizability 28.15 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 108222 Specdb::MsMs 108223 Specdb::MsMs 108224 Specdb::MsMs 175398 Specdb::MsMs 175399 Specdb::MsMs 175400 HMDB31755