1.0 2011-09-21 00:11:51 UTC 2015-07-21 06:57:08 UTC FDB022306 1-Methylhistamine 1-Methylhistamine is a histamine metabolite. It is a product of histamine 1-methyltransferase [EC 2.1.1.8] in the pathway histidine metabolism (KEGG). [HMDB] 1-Methyl-1H-imidazole-4-ethanamine 1-methyl-4-(2-aminoethyl)imidazole 1-Methyl-4-(b-aminoethyl)imidazole 1-Methyl-4-(beta-aminoethyl)imidazole 1-Methyl-4-histamine 1-Methylhistamine 2-(1-methyl-1H-imidazol-4-yl)ethanamine 2-(1-Methyl-1H-imidazol-4-yl)ethylamine 3-Methylhistamine 4-(1-Aminoethyl)-1-methyl-1H-imidazole 4-(2-aminoethyl)-1-methyl-Imidazole 4-(2-Aminoethyl)-1-methylimidazole H137 methylhistamine N-methylhistamine N-tele-Methylhistamine N-Telle-methylhistamine N( 1)-Methylhistamine N(1)-Methylhistamine N(T)-methylhistamine N1-Methylhistamine NT-methylhistamine Ntau-Methylhistamine Tele-methylhistamine C6H11N3 125.1716 125.095297367 2-(1-methyl-1H-imidazol-4-yl)ethan-1-amine methylhistamine 501-75-7 CN1C=NC(CCN)=C1 InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3 FHQDWPCFSJMNCT-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 imidazoles primary amino compound Solid logp -0.57 ALOGPS logs -1.39 ALOGPS solubility 5.12e+00 g/l ALOGPS logp -0.48 ChemAxon pka_strongest_basic 9.57 ChemAxon iupac 2-(1-methyl-1H-imidazol-4-yl)ethan-1-amine ChemAxon average_mass 125.1716 ChemAxon mono_mass 125.095297367 ChemAxon smiles CN1C=NC(CCN)=C1 ChemAxon formula C6H11N3 ChemAxon inchi InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3 ChemAxon inchikey FHQDWPCFSJMNCT-UHFFFAOYSA-N ChemAxon polar_surface_area 43.84 ChemAxon refractivity 36.56 ChemAxon polarizability 14.24 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Histidine Metabolism SMP00044 map00340 Specdb::NmrTwoD 1532 Specdb::MsIr 955 Specdb::MsIr 956 Specdb::MsIr 957 Specdb::MsMs 1271 Specdb::MsMs 1272 Specdb::MsMs 1273 Specdb::MsMs 4825 Specdb::MsMs 305833 Specdb::MsMs 305834 Specdb::MsMs 305835 Specdb::MsMs 349324 Specdb::MsMs 349325 Specdb::MsMs 349326 Specdb::MsMs 447966 Specdb::MsMs 2318126 Specdb::MsMs 2318127 Specdb::MsMs 2318128 Specdb::MsMs 2616741 Specdb::MsMs 2616742 Specdb::MsMs 2616743 Specdb::CMs 668 Specdb::CMs 669 Specdb::CMs 670 Specdb::CMs 1421 Specdb::CMs 17974 Specdb::CMs 30102 Specdb::CMs 30323 Specdb::CMs 30416 Specdb::CMs 30841 Specdb::CMs 31257 Specdb::CMs 148847 Specdb::NmrOneD 1591 Specdb::NmrOneD 145750 Specdb::NmrOneD 145751 Specdb::NmrOneD 145752 Specdb::NmrOneD 145753 Specdb::NmrOneD 145754 Specdb::NmrOneD 145755 Specdb::NmrOneD 145756 Specdb::NmrOneD 145757 Specdb::NmrOneD 145758 Specdb::NmrOneD 145759 Specdb::NmrOneD 145760 Specdb::NmrOneD 145761 Specdb::NmrOneD 145762 Specdb::NmrOneD 145763 Specdb::NmrOneD 145764 Specdb::NmrOneD 145765 Specdb::NmrOneD 145766 Specdb::NmrOneD 145767 Specdb::NmrOneD 145768 Specdb::NmrOneD 145769 HMDB00898 29009 #<Reference:0x000055ce32e470e0> #<Reference:0x000055ce32e46e60> #<Reference:0x000055ce32e46be0> #<Reference:0x000055ce32e469b0> #<Reference:0x000055ce32e467d0> #<Reference:0x000055ce32e465c8> #<Reference:0x000055ce32e463e8> #<Reference:0x000055ce32e461e0> #<Reference:0x000055ce32e45ee8> #<Reference:0x000055ce32e45ba0> #<Reference:0x000055ce32e45858> #<Reference:0x000055ce32e45678> #<Reference:0x000055ce32e45470> #<Reference:0x000055ce32e452b8> #<Reference:0x000055ce32e45100> #<Reference:0x000055ce32e44e58> #<Reference:0x000055ce32e44c00> #<Reference:0x000055ce32e44958> #<Reference:0x000055ce32e44700> #<Reference:0x000055ce32e444d0> 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