1.0 2020-03-10 16:59:57 UTC 2020-04-22 18:55:35 UTC BMDB0096024 BMDB96024 1,2 Diaminopropane 1,2-Diaminopropane 1,2-Propanediamine 1-Methylethylenediamine pn 1,2-Diaminopropane acetate 1,2-Diaminopropane dihydrochloride, (S)-isomer 1,2-Diaminopropane, (R)-isomer 1,2-Diaminopropane dihydrochloride, (R)-isomer 1,2-Diaminopropane diacetate 1,2-Diaminopropane, (S)-isomer 1,2-diamino-N-Propane 1,2-Propylenediamine 1,2-Trimethylenediamine 2-Aminopropylamine Propane-1,2-diamine C3H10N2 74.1249 74.08439833 propane-1,2-diamine propylenediamine 78-90-0 CC(N)CN InChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3 AOHJOMMDDJHIJH-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 diamine logp -1.36 ALOGPS logs 0.78 ALOGPS logp -1 ChemAxon pka_strongest_basic 9.83 ChemAxon iupac propane-1,2-diamine ChemAxon average_mass 74.1249 ChemAxon mono_mass 74.08439833 ChemAxon smiles CC(N)CN ChemAxon formula C3H10N2 ChemAxon inchi InChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3 ChemAxon inchikey AOHJOMMDDJHIJH-UHFFFAOYSA-N ChemAxon polar_surface_area 52.04 ChemAxon refractivity 22.29 ChemAxon polarizability 8.94 ChemAxon rotatable_bond_count 1 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 Specdb::MsIr 2851 Specdb::MsIr 2852 Specdb::MsIr 2853 Specdb::CMs 1314 Specdb::CMs 15908 Specdb::CMs 27667 Specdb::CMs 28729 Specdb::CMs 28771 Specdb::CMs 31569 Specdb::CMs 162628 Specdb::MsMs 56511 Specdb::MsMs 56512 Specdb::MsMs 56513 Specdb::MsMs 111948 Specdb::MsMs 111949 Specdb::MsMs 111950 Specdb::MsMs 2455588 Specdb::MsMs 2455589 Specdb::MsMs 2455590 Specdb::MsMs 2480023 Specdb::MsMs 2480024 Specdb::MsMs 2480025 Specdb::NmrOneD 98938 Specdb::NmrOneD 98939 Specdb::NmrOneD 98940 Specdb::NmrOneD 98941 Specdb::NmrOneD 98942 Specdb::NmrOneD 98943 Specdb::NmrOneD 98944 Specdb::NmrOneD 98945 Specdb::NmrOneD 98946 Specdb::NmrOneD 98947 Specdb::NmrOneD 98948 Specdb::NmrOneD 98949 Specdb::NmrOneD 98950 Specdb::NmrOneD 98951 Specdb::NmrOneD 98952 Specdb::NmrOneD 98953 Specdb::NmrOneD 98954 Specdb::NmrOneD 98955 Specdb::NmrOneD 98956 Specdb::NmrOneD 98957 13849260 6567 FDB029308 30630 CPD-12574 1,2-Diaminopropane