1.0 2010-04-08 22:12:40 UTC 2015-07-20 23:33:00 UTC FDB016823 Cyclohexyl anthranilate Flavouring ingredient Anthranilic acid, cyclohexyl ester Benzoic acid, 2-amino-, cyclohexyl ester Cyclohexyl 2-aminobenzoate Cyclohexyl anthranilate FEMA 2350 C13H17NO2 219.2796 219.125928793 cyclohexyl 2-aminobenzoate cyclohexyl 2-aminobenzoate 7779-16-0 NC1=CC=CC=C1C(=O)OC1CCCCC1 InChI=1S/C13H17NO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7,14H2 KFEZETDKFSMLMG-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 2.95 ALOGPS logs -3.33 ALOGPS solubility 1.02e-01 g/l ALOGPS logp 3.6 ChemAxon pka_strongest_acidic 19.39 ChemAxon pka_strongest_basic 2.21 ChemAxon iupac cyclohexyl 2-aminobenzoate ChemAxon average_mass 219.2796 ChemAxon mono_mass 219.125928793 ChemAxon smiles NC1=CC=CC=C1C(=O)OC1CCCCC1 ChemAxon formula C13H17NO2 ChemAxon inchi InChI=1S/C13H17NO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7,14H2 ChemAxon inchikey KFEZETDKFSMLMG-UHFFFAOYSA-N ChemAxon polar_surface_area 52.32 ChemAxon refractivity 63.8 ChemAxon polarizability 24.54 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18805 Specdb::CMs 163252 Specdb::MsMs 43878 Specdb::MsMs 43879 Specdb::MsMs 43880 Specdb::MsMs 165120 Specdb::MsMs 165121 Specdb::MsMs 165122 Specdb::MsMs 2838390 Specdb::MsMs 2838391 Specdb::MsMs 2838392 Specdb::MsMs 2867625 Specdb::MsMs 2867626 Specdb::MsMs 2867627 HMDB37695 #<Reference:0x000055ce32aa3da8> blossom mild neroli orange