1.0 2010-04-08 22:13:56 UTC 2019-11-26 03:16:41 UTC FDB018791 N6-Methylagmatine Isolated from soybean and alfalfa. N6-Methylagmatine is found in soy bean, pulses, and common bean. Guanidine, N-(4-aminobutyl)-N'-methyl- N-(4-Aminobutyl)-n'-methyl-guanidine N-(4-Aminobutyl)-N'-methylguanidine N-omega-methylagmatine N(g)-methylagmatine N6-Methylagmatine C6H16N4 144.218 144.137496532 1-(4-aminobutyl)-3-methylguanidine 1-(4-aminobutyl)-3-methylguanidine 77414-15-4 CNC(=N)NCCCCN InChI=1S/C6H16N4/c1-9-6(8)10-5-3-2-4-7/h2-5,7H2,1H3,(H3,8,9,10) CEZLGLLDSAKBNX-UHFFFAOYSA-N belongs to the class of organic compounds known as guanidines. Guanidines are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5. Guanidines Organic compounds Organic nitrogen compounds Organonitrogen compounds Guanidines Aliphatic acyclic compounds Carboximidamides Hydrocarbon derivatives Imines Monoalkylamines Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic acyclic compound Amine Carboximidamide Guanidine Hydrocarbon derivative Imine Organic 1,3-dipolar compound Organopnictogen compound Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound logp -0.38 ALOGPS logs -1.69 ALOGPS solubility 2.94e+00 g/l ALOGPS logp -0.9 ChemAxon pka_strongest_basic 12.85 ChemAxon iupac 1-(4-aminobutyl)-3-methylguanidine ChemAxon average_mass 144.218 ChemAxon mono_mass 144.137496532 ChemAxon smiles CNC(=N)NCCCCN ChemAxon formula C6H16N4 ChemAxon inchi InChI=1S/C6H16N4/c1-9-6(8)10-5-3-2-4-7/h2-5,7H2,1H3,(H3,8,9,10) ChemAxon inchikey CEZLGLLDSAKBNX-UHFFFAOYSA-N ChemAxon polar_surface_area 73.93 ChemAxon refractivity 52.87 ChemAxon polarizability 17.2 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17322 Specdb::CMs 157899 Specdb::MsIr 8136 Specdb::MsIr 8137 Specdb::MsIr 8138 Specdb::MsMs 61032 Specdb::MsMs 61033 Specdb::MsMs 61034 Specdb::MsMs 117489 Specdb::MsMs 117490 Specdb::MsMs 117491 Specdb::MsMs 2372772 Specdb::MsMs 2372773 Specdb::MsMs 2372774 Specdb::MsMs 2565516 Specdb::MsMs 2565517 Specdb::MsMs 2565518 Specdb::NmrOneD 31842 Specdb::NmrOneD 31843 Specdb::NmrOneD 31844 Specdb::NmrOneD 31845 Specdb::NmrOneD 31846 Specdb::NmrOneD 31847 Specdb::NmrOneD 31848 Specdb::NmrOneD 31849 Specdb::NmrOneD 31850 Specdb::NmrOneD 31851 Specdb::NmrOneD 31852 Specdb::NmrOneD 31853 Specdb::NmrOneD 31854 Specdb::NmrOneD 31855 Specdb::NmrOneD 31856 Specdb::NmrOneD 31857 Specdb::NmrOneD 31858 Specdb::NmrOneD 31859 Specdb::NmrOneD 31860 Specdb::NmrOneD 31861 HMDB39252 #<Reference:0x000055ce30cad380> Common bean Type 1 specific Phaseolus vulgaris 3885 Pulses Unknown generic Soy bean Type 1 specific Glycine max 3847