1.0 2010-04-08 22:09:40 UTC 2019-11-26 03:04:58 UTC FDB011476 Na,Na-Dimethylhistamine Alkaloid from Coprinus comatus (shaggy ink cap) and Casimiroa edulis seeds (Mexican apple). Na,Na-Dimethylhistamine is found in mushrooms, pomes, and spinach. 1H-Imidazole-4-ethanamine, N,N-dimethyl- 4-(2-(dimethylamino)Ethyl)-imidazole 4-(2-Dimethylaminoethyl)imidazole 4-[2-(dimethylamino)Ethyl]-imidazole Hippospongine? Imidazole, 4-(2-(dimethylamino)ethyl)- Imidazole, 4-[2-(dimethylamino)ethyl]- N-[2-(1H-Imidazol-4-yl)ethyl]-N,N-dimethylamine N,N-Dimethyl-1H-imidazole-4-ethanamine N,N-Dimethyl-1H-imidazole-4-ethanamine, 9CI N,n-dimethylhistamine N',n'-dimethylhistamine N(sup alpha),n(sup alpha)-dimethylhistamine N&alpha;,n&alpha;-dimethylhistamine N&laquo;omega&raquo;,n&laquo;omega&raquo;-dimethylhistamine Na,Na-Dimethylhistamine Nalpha ,nalpha -dimethylhistamine NLaquo omegaraquo ,nlaquo omegaraquo -dimethylhistamine C7H13N3 139.1982 139.110947431 [2-(1H-imidazol-5-yl)ethyl]dimethylamine [2-(3H-imidazol-4-yl)ethyl]dimethylamine 673-46-1 CN(C)CCC1=CN=CN1 InChI=1S/C7H13N3/c1-10(2)4-3-7-5-8-6-9-7/h5-6H,3-4H2,1-2H3,(H,8,9) ZJDIMSMQXMWMCF-UHFFFAOYSA-N belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group. Aralkylamines Organic compounds Organic nitrogen compounds Organonitrogen compounds Amines Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Imidazoles Organopnictogen compounds Trialkylamines Aralkylamine Aromatic heteromonocyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Imidazole Organoheterocyclic compound Organopnictogen compound Tertiary aliphatic amine Tertiary amine logp -0.14 ALOGPS logs 0.57 ALOGPS solubility 5.16e+02 g/l ALOGPS logp -0.22 ChemAxon pka_strongest_acidic 13.5 ChemAxon pka_strongest_basic 8.87 ChemAxon iupac [2-(1H-imidazol-5-yl)ethyl]dimethylamine ChemAxon average_mass 139.1982 ChemAxon mono_mass 139.110947431 ChemAxon smiles CN(C)CCC1=CN=CN1 ChemAxon formula C7H13N3 ChemAxon inchi InChI=1S/C7H13N3/c1-10(2)4-3-7-5-8-6-9-7/h5-6H,3-4H2,1-2H3,(H,8,9) ChemAxon inchikey ZJDIMSMQXMWMCF-UHFFFAOYSA-N ChemAxon polar_surface_area 31.92 ChemAxon refractivity 42.3 ChemAxon polarizability 15.98 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1707 Specdb::MsIr 6090 Specdb::MsIr 6091 Specdb::MsIr 6092 Specdb::MsMs 58461 Specdb::MsMs 58462 Specdb::MsMs 58463 Specdb::MsMs 114402 Specdb::MsMs 114403 Specdb::MsMs 114404 Specdb::MsMs 2400066 Specdb::MsMs 2400067 Specdb::MsMs 2400068 Specdb::MsMs 2538737 Specdb::MsMs 2538738 Specdb::MsMs 2538739 Specdb::CMs 11242 Specdb::CMs 135556 Specdb::CMs 143290 Specdb::NmrOneD 119918 Specdb::NmrOneD 119919 Specdb::NmrOneD 119920 Specdb::NmrOneD 119921 Specdb::NmrOneD 119922 Specdb::NmrOneD 119923 Specdb::NmrOneD 119924 Specdb::NmrOneD 119925 Specdb::NmrOneD 119926 Specdb::NmrOneD 119927 Specdb::NmrOneD 119928 Specdb::NmrOneD 119929 Specdb::NmrOneD 119930 Specdb::NmrOneD 119931 Specdb::NmrOneD 119932 Specdb::NmrOneD 119933 Specdb::NmrOneD 119934 Specdb::NmrOneD 119935 Specdb::NmrOneD 119936 Specdb::NmrOneD 119937 HMDB33438 #<Reference:0x000055ce32aa50e0> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322 Pomes Unknown generic Spinach Type 1 specific Spinacia oleracea 3562