1.0 2010-04-08 22:10:51 UTC 2018-05-29 01:06:59 UTC FDB013696 Isobutyl anthranilate It is used in food flavouring 2-Methylpropyl 2-aminobenzoate Anthranilic acid, isobutyl ester Benzoic acid, 2-amino-, 2-methylpropyl ester FEMA 2182 Isobutyl 2-aminobenzoate Isobutyl anthranilate Isobutyl o-aminobenzoate C11H15NO2 193.2423 193.110278729 2-methylpropyl 2-aminobenzoate 2-methylpropyl 2-aminobenzoate 7779-77-3 CC(C)COC(=O)C1=CC=CC=C1N InChI=1S/C11H15NO2/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8H,7,12H2,1-2H3 ILCLJQFCMRCPNM-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. Benzoic acid esters Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds Amino acids and derivatives Aminobenzoic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Organopnictogen compounds Primary amines Vinylogous amides Amine Amino acid or derivatives Aminobenzoic acid or derivatives Aniline or substituted anilines Aromatic homomonocyclic compound Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary amine Vinylogous amide logp 2.58 ALOGPS logs -2.61 ALOGPS solubility 4.73e-01 g/l ALOGPS logp 3.04 ChemAxon pka_strongest_acidic 19.4 ChemAxon pka_strongest_basic 2.21 ChemAxon iupac 2-methylpropyl 2-aminobenzoate ChemAxon average_mass 193.2423 ChemAxon mono_mass 193.110278729 ChemAxon smiles CC(C)COC(=O)C1=CC=CC=C1N ChemAxon formula C11H15NO2 ChemAxon inchi InChI=1S/C11H15NO2/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8H,7,12H2,1-2H3 ChemAxon inchikey ILCLJQFCMRCPNM-UHFFFAOYSA-N ChemAxon polar_surface_area 52.32 ChemAxon refractivity 56.53 ChemAxon polarizability 21.51 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17761 Specdb::CMs 26786 Specdb::CMs 29147 Specdb::CMs 101689 Specdb::CMs 101690 Specdb::CMs 147403 Specdb::MsIr 6788 Specdb::MsIr 6789 Specdb::MsIr 6790 Specdb::MsMs 65832 Specdb::MsMs 65833 Specdb::MsMs 65834 Specdb::MsMs 123276 Specdb::MsMs 123277 Specdb::MsMs 123278 Specdb::MsMs 2785588 Specdb::MsMs 2785589 Specdb::MsMs 2785590 Specdb::MsMs 2924167 Specdb::MsMs 2924168 Specdb::MsMs 2924169 HMDB35072 #<Reference:0x000055ce31d7c828> berry floral fruity grape sweet