1.02011-09-21 01:53:43 UTC2015-07-21 06:59:41 UTCFDB0293081,2-DiaminopropaneA human metabolite taken as a putative food compound of mammalian origin [HMDB]1-Methylethylenediamine1,2-Diamino-n-propane1,2-propanediamine1,2-Propylenediamine1,2-Trimethylenediamine2-AminopropylaminepnPropane-1,2-diaminePropylenediamineC3H10N274.124974.08439833propane-1,2-diaminepropylenediamine78-90-0CC(N)CNInChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3AOHJOMMDDJHIJH-UHFFFAOYSA-N belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.MonoalkylaminesOrganic compoundsOrganic nitrogen compoundsOrganonitrogen compoundsAminesAliphatic acyclic compoundsHydrocarbon derivativesOrganopnictogen compoundsAliphatic acyclic compoundHydrocarbon derivativeOrganopnictogen compoundPrimary aliphatic aminea small moleculediamineSolidlogp-1.36logs0.78solubility4.50e+02 g/llogp-1pka_strongest_basic9.83iupacpropane-1,2-diamineaverage_mass74.1249mono_mass74.08439833smilesCC(N)CNformulaC3H10N2inchiInChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3inchikeyAOHJOMMDDJHIJH-UHFFFAOYSA-Npolar_surface_area52.04refractivity22.29polarizability8.94rotatable_bond_count1acceptor_count2donor_count2physiological_charge2formal_charge0Specdb::MsIr2851Specdb::MsIr2852Specdb::MsIr2853Specdb::CMs1314Specdb::CMs15908Specdb::CMs27667Specdb::CMs28729Specdb::CMs28771Specdb::CMs31569Specdb::CMs162628Specdb::NmrOneD98938Specdb::NmrOneD98939Specdb::NmrOneD98940Specdb::NmrOneD98941Specdb::NmrOneD98942Specdb::NmrOneD98943Specdb::NmrOneD98944Specdb::NmrOneD98945Specdb::NmrOneD98946Specdb::NmrOneD98947Specdb::NmrOneD98948Specdb::NmrOneD98949Specdb::NmrOneD98950Specdb::NmrOneD98951Specdb::NmrOneD98952Specdb::NmrOneD98953Specdb::NmrOneD98954Specdb::NmrOneD98955Specdb::NmrOneD98956Specdb::NmrOneD98957Specdb::MsMs56511Specdb::MsMs56512Specdb::MsMs56513Specdb::MsMs111948Specdb::MsMs111949Specdb::MsMs111950Specdb::MsMs2455588Specdb::MsMs2455589Specdb::MsMs2455590Specdb::MsMs2480023Specdb::MsMs2480024Specdb::MsMs2480025HMDB13136