1.0 2016-09-30 22:07:15 UTC 2020-05-21 16:28:29 UTC BMDB0000002 BMDB00002 1,3-Diaminopropane 1,3-Propanediamine 1,3-Propylenediamine Propane-1,3-diamine tn Trimethylenediamine 1,3-Diaminepropane Trimethylenediamine dihydrochloride Trimethylenediamine hydrochloride 1,3-diamino-N-Propane 1,3-Trimethylenediamine 3-Aminopropylamine a,W-Propanediamine 1,3-Diaminopropane C3H10N2 74.1249 74.08439833 propane-1,3-diamine α,ω-propanediamine 109-76-2 NCCCN InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2 XFNJVJPLKCPIBV-UHFFFAOYSA-N belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group. Organic compounds Organic nitrogen compounds Organonitrogen compounds Amines Monoalkylamines Hydrocarbon derivatives Organopnictogen compounds Aliphatic acyclic compound Hydrocarbon derivative Organopnictogen compound Primary aliphatic amine Aliphatic acyclic compounds a small molecule alkane-alpha,omega-diamine Liquid melting_point -12 °C logp -1.43 HANSCH,C ET AL. (1995) logp -1.41 ALOGPS logs 0.77 ALOGPS logp -1.4 ChemAxon pka_strongest_basic 10.17 ChemAxon iupac propane-1,3-diamine ChemAxon average_mass 74.1249 ChemAxon mono_mass 74.08439833 ChemAxon smiles NCCCN ChemAxon formula C3H10N2 ChemAxon inchi InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2 ChemAxon inchikey XFNJVJPLKCPIBV-UHFFFAOYSA-N ChemAxon polar_surface_area 52.04 ChemAxon refractivity 22.73 ChemAxon polarizability 9.06 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 2 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon beta-Alanine Metabolism SMP0087180 Specdb::EiMs 1533 Specdb::MsIr 82 Specdb::MsIr 83 Specdb::MsIr 84 Specdb::NmrOneD 1023 Specdb::NmrOneD 3789 Specdb::NmrOneD 4048 Specdb::NmrOneD 4740 Specdb::NmrTwoD 916 Specdb::NmrTwoD 934 Specdb::CMs 272 Specdb::CMs 273 Specdb::CMs 274 Specdb::CMs 275 Specdb::CMs 1311 Specdb::CMs 3286 Specdb::CMs 27666 Specdb::CMs 28730 Specdb::CMs 28772 Specdb::CMs 30163 Specdb::CMs 30249 Specdb::CMs 30410 Specdb::CMs 30742 Specdb::CMs 30942 Specdb::CMs 32035 Specdb::CMs 32036 Specdb::CMs 131464 Specdb::CMs 139198 Specdb::MsMs 4 Specdb::MsMs 5 Specdb::MsMs 6 Specdb::MsMs 2508 Specdb::MsMs 2509 Specdb::MsMs 2510 Specdb::MsMs 2511 Specdb::MsMs 2512 Specdb::MsMs 2513 Specdb::MsMs 2514 Specdb::MsMs 2515 Specdb::MsMs 20192 Specdb::MsMs 20193 Specdb::MsMs 20194 Specdb::MsMs 20441 Specdb::MsMs 20442 Specdb::MsMs 20443 Specdb::MsMs 21743 Specdb::MsMs 21744 Specdb::MsMs 21745 Specdb::MsMs 21992 Specdb::MsMs 21993 Specdb::MsMs 21994 Specdb::MsMs 445975 Specdb::MsMs 445976 Ruminal Fluid Samples collected from 16 multiparous Holstein cows Sun HZ, Wang DM, Wang B, Wang JK, Liu HY, Guan le L, Liu JX: Metabolomics of four biofluids from dairy cows: potential biomarkers for milk production and quality. J Proteome Res. 2015 Feb 6;14(2):1287-98. doi: 10.1021/pr501305g. Epub 2015 Jan 28. 25599412 C00986 FDB005274 415 428 C00007404 15725 CPD-313 1,3-Diaminopropane BMDBP00095 Membrane primary amine oxidase Q9TTK6 AOC3 Enzyme BMDBP00127 Deoxyhypusine synthase Q6EWQ6 DHPS Enzyme