1.0 2016-10-03 18:33:00 UTC 2020-04-22 15:48:40 UTC BMDB0012136 BMDB12136 1-Amino-propan-2-ol 1-Methyl-2-aminoethanol 2-Hydroxypropylamine alpha-Aminoisopropyl alcohol Isopropanolamine Monoisopropanolamine 1-Amino-2-propanol a-Aminoisopropyl alcohol Α-aminoisopropyl alcohol 1-amino-2-Hydroxypropanamine 1-Aminopropan-2-ol Aminopropanol Mipa mono-iso-Propanolamine Threamine C3H9NO 75.1097 75.068413915 1-aminopropan-2-ol 1-amino-2-propanol 78-96-6 CC(O)CN InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3 HXKKHQJGJAFBHI-UHFFFAOYSA-N belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom. Organic compounds Organic nitrogen compounds Organonitrogen compounds Amines 1,2-aminoalcohols Hydrocarbon derivatives Monoalkylamines Organopnictogen compounds Secondary alcohols 1,2-aminoalcohol Alcohol Aliphatic acyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary alcohol Aliphatic acyclic compounds a small molecule amino alcohol secondary alcohol Solid logp -1.03 ALOGPS logs 1.00 ALOGPS logp -0.9 ChemAxon pka_strongest_acidic 15.3 ChemAxon pka_strongest_basic 9.6 ChemAxon iupac 1-aminopropan-2-ol ChemAxon average_mass 75.1097 ChemAxon mono_mass 75.068413915 ChemAxon smiles CC(O)CN ChemAxon formula C3H9NO ChemAxon inchi InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3 ChemAxon inchikey HXKKHQJGJAFBHI-UHFFFAOYSA-N ChemAxon polar_surface_area 46.25 ChemAxon refractivity 20.63 ChemAxon polarizability 8.45 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 1 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 2648 Specdb::MsIr 2649 Specdb::MsIr 2650 Specdb::CMs 17274 Specdb::CMs 26833 Specdb::CMs 27924 Specdb::CMs 39824 Specdb::CMs 100008 Specdb::CMs 100009 Specdb::CMs 150244 Specdb::MsMs 27362 Specdb::MsMs 27363 Specdb::MsMs 27364 Specdb::MsMs 33920 Specdb::MsMs 33921 Specdb::MsMs 33922 Specdb::MsMs 2793149 Specdb::MsMs 2793150 Specdb::MsMs 2793151 Specdb::MsMs 2916599 Specdb::MsMs 2916600 Specdb::MsMs 2916601 Specdb::NmrOneD 95538 Specdb::NmrOneD 95539 Specdb::NmrOneD 95540 Specdb::NmrOneD 95541 Specdb::NmrOneD 95542 Specdb::NmrOneD 95543 Specdb::NmrOneD 95544 Specdb::NmrOneD 95545 Specdb::NmrOneD 95546 Specdb::NmrOneD 95547 Specdb::NmrOneD 95548 Specdb::NmrOneD 95549 Specdb::NmrOneD 95550 Specdb::NmrOneD 95551 Specdb::NmrOneD 95552 Specdb::NmrOneD 95553 Specdb::NmrOneD 95554 Specdb::NmrOneD 95555 Specdb::NmrOneD 95556 Specdb::NmrOneD 95557 C05771 FDB008936 3 19030 4 1-Amino-2-propanol