1.0 2011-09-21 00:18:22 UTC 2015-10-09 22:30:58 UTC FDB022715 3-Methylhistamine N tau-methylhistamine is one of the histamine metabolites. N tau-methylhistamine in plasma and urine is a good parameter for histamine release, and the determination of this histamine metabolite is generally less hampered by possible artifacts (due to basophil disrupture, a very short half-life time or bacterial production) than determinations of histamine itself. (PMID 2409780) [HMDB] L-histamine deriv. 1 N-Tau-methylhistamine N(tau)-methylhistamine Tau-methylhistamine C6H11N3 125.1716 125.095297367 2-(1-methyl-1H-imidazol-5-yl)ethan-1-amine 3-methylhistamine 644-42-8 CN1C=NC=C1CCN InChI=1S/C6H11N3/c1-9-5-8-4-6(9)2-3-7/h4-5H,2-3,7H2,1H3 CPAGZVLINCPJEH-UHFFFAOYSA-N belongs to the class of organic compounds known as 2-arylethylamines. These are primary amines that have the general formula RCCNH2, where R is an organic group. 2-arylethylamines Organic compounds Organic nitrogen compounds Organonitrogen compounds Amines Aromatic heteromonocyclic compounds Aralkylamines Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Monoalkylamines N-substituted imidazoles Organopnictogen compounds 2-arylethylamine Aralkylamine Aromatic heteromonocyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Imidazole N-substituted imidazole Organoheterocyclic compound Organopnictogen compound Primary aliphatic amine Solid logp -0.83 ALOGPS logs -1.41 ALOGPS solubility 4.85e+00 g/l ALOGPS logp -0.82 ChemAxon pka_strongest_basic 9.78 ChemAxon iupac 2-(1-methyl-1H-imidazol-5-yl)ethan-1-amine ChemAxon average_mass 125.1716 ChemAxon mono_mass 125.095297367 ChemAxon smiles CN1C=NC=C1CCN ChemAxon formula C6H11N3 ChemAxon inchi InChI=1S/C6H11N3/c1-9-5-8-4-6(9)2-3-7/h4-5H,2-3,7H2,1H3 ChemAxon inchikey CPAGZVLINCPJEH-UHFFFAOYSA-N ChemAxon polar_surface_area 43.84 ChemAxon refractivity 37.13 ChemAxon polarizability 13.92 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16103 Specdb::CMs 137846 Specdb::CMs 145580 Specdb::NmrTwoD 1703 Specdb::MsIr 1387 Specdb::MsIr 1388 Specdb::MsIr 1389 Specdb::NmrOneD 1763 Specdb::NmrOneD 148380 Specdb::NmrOneD 148381 Specdb::NmrOneD 148382 Specdb::NmrOneD 148383 Specdb::NmrOneD 148384 Specdb::NmrOneD 148385 Specdb::NmrOneD 148386 Specdb::NmrOneD 148387 Specdb::NmrOneD 148388 Specdb::NmrOneD 148389 Specdb::NmrOneD 148390 Specdb::NmrOneD 148391 Specdb::NmrOneD 148392 Specdb::NmrOneD 148393 Specdb::NmrOneD 148394 Specdb::NmrOneD 148395 Specdb::NmrOneD 148396 Specdb::NmrOneD 148397 Specdb::NmrOneD 148398 Specdb::NmrOneD 148399 Specdb::MsMs 1738 Specdb::MsMs 1739 Specdb::MsMs 1740 Specdb::MsMs 301720 Specdb::MsMs 301721 Specdb::MsMs 301722 Specdb::MsMs 344272 Specdb::MsMs 344273 Specdb::MsMs 344274 Specdb::MsMs 451951 Specdb::MsMs 2226893 Specdb::MsMs 2227838 Specdb::MsMs 2229212 Specdb::MsMs 2230227 Specdb::MsMs 2231515 Specdb::MsMs 2232698 Specdb::MsMs 2233929 Specdb::MsMs 2234986 Specdb::MsMs 2254835 Specdb::MsMs 2372493 Specdb::MsMs 2372494 Specdb::MsMs 2372495 Specdb::MsMs 2563770 Specdb::MsMs 2563771 Specdb::MsMs 2563772 HMDB01861 #<Reference:0x000055ce316a36c8> #<Reference:0x000055ce316a3510> #<Reference:0x000055ce316a3358> 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