1.0 2010-04-08 22:13:17 UTC 2019-11-26 03:15:09 UTC FDB017745 O-Acetylethanolamine Isolated from seeds of Lens culinaris (lentil), also present in other Leguminosae. O-Acetylethanolamine is found in pulses. 2-Acetoxyethylamine O-Acetylethanolamine C4H9NO2 103.1198 103.063328537 2-aminoethyl acetate 2-aminoethyl acetate 1854-30-4 CC(=O)OCCN InChI=1S/C4H9NO2/c1-4(6)7-3-2-5/h2-3,5H2,1H3 HBVZRPAKZOLBPL-UHFFFAOYSA-N belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Carboxylic acid esters Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Aliphatic acyclic compounds Amino acids and derivatives Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Aliphatic acyclic compound Amine Amino acid or derivatives Carbonyl group Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine logp -1.12 ALOGPS logs 0.68 ALOGPS solubility 4.96e+02 g/l ALOGPS logp -0.87 ChemAxon pka_strongest_basic 9.23 ChemAxon iupac 2-aminoethyl acetate ChemAxon average_mass 103.1198 ChemAxon mono_mass 103.063328537 ChemAxon smiles CC(=O)OCCN ChemAxon formula C4H9NO2 ChemAxon inchi InChI=1S/C4H9NO2/c1-4(6)7-3-2-5/h2-3,5H2,1H3 ChemAxon inchikey HBVZRPAKZOLBPL-UHFFFAOYSA-N ChemAxon polar_surface_area 52.32 ChemAxon refractivity 25.36 ChemAxon polarizability 10.7 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11143 Specdb::CMs 157330 Specdb::MsIr 7910 Specdb::MsIr 7911 Specdb::MsIr 7912 Specdb::MsMs 98013 Specdb::MsMs 98014 Specdb::MsMs 98015 Specdb::MsMs 162837 Specdb::MsMs 162838 Specdb::MsMs 162839 Specdb::MsMs 2345891 Specdb::MsMs 2345892 Specdb::MsMs 2345893 Specdb::MsMs 2592394 Specdb::MsMs 2592395 Specdb::MsMs 2592396 Specdb::NmrOneD 26082 Specdb::NmrOneD 26083 Specdb::NmrOneD 26084 Specdb::NmrOneD 26085 Specdb::NmrOneD 26086 Specdb::NmrOneD 26087 Specdb::NmrOneD 26088 Specdb::NmrOneD 26089 Specdb::NmrOneD 26090 Specdb::NmrOneD 26091 Specdb::NmrOneD 26092 Specdb::NmrOneD 26093 Specdb::NmrOneD 26094 Specdb::NmrOneD 26095 Specdb::NmrOneD 26096 Specdb::NmrOneD 26097 Specdb::NmrOneD 26098 Specdb::NmrOneD 26099 Specdb::NmrOneD 26100 Specdb::NmrOneD 26101 HMDB38394 #<Reference:0x000055ce30f58508> Pulses Unknown generic