1.0 2011-09-21 00:31:49 UTC 2015-10-09 22:33:11 UTC FDB023574 Benzocaine A surface anesthetic that acts by preventing transmission of impulses along nerve fibers and at nerve endings.; Benzocaine is a local anesthetic commonly used as a topical pain reliever. It is the active ingredient in many over-the-counter analgesic ointments. Benzocaine is an ester, a compound made from the organic acid PABA (para-aminobenzoic acid) and ethanol. The process in which this ester is created is known as Fischer esterification. [HMDB] (p-(Ethoxycarbonyl)phenylamine 4-(Ethoxycarbonyl)aniline 4-(Ethoxycarbonyl)phenylamine 4-Aminobenzoate ethyl ester 4-Aminobenzoic acid 4-Aminobenzoic acid ethyl ester 4-Carbethoxyaniline Aethoform Amben ethyl ester Americaine Anaesthan-syngala Anaesthesin Anaesthin Anestezin Anesthesin Anesthesine Anesthone Baby Anbesol Benzoak Benzocaina Benzocaine Benzocainum Dermoplast Diet Ayds Ethoform ethyl 4-aminobenzoate ethyl 4-aminobenzoic acid Ethyl aminobenzoate Ethyl aminobenzoic acid Ethyl p-aminobenzenecarboxylate Ethyl p-aminobenzoate Ethyl p-aminobenzoic acid Ethyl p-aminophenylcarboxylate Ethyl P-aminophenylcarboxylic acid Ethylester kyseliny p-aminobenzoove Hurricaine Identhesin Norcain Norcaine Ora-jel Orabase-B Orthesin p-(Ethoxycarbonyl)aniline p-Aminobenzoic acid ethyl ester p-Carbethoxyaniline p-Ethoxycarboxylic aniline Parathesin Parathesine Slim Mint Gum Solarcaine Solu H Topcaine C9H11NO2 165.1891 165.078978601 ethyl 4-aminobenzoate benzocaine 94-09-7 CCOC(=O)C1=CC=C(N)C=C1 InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 BLFLLBZGZJTVJG-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 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 benzoate ester substituted aniline Solid logp 2.20 ALOGPS logs -1.76 ALOGPS solubility 2.85e+00 g/l ALOGPS logp 1.5 ChemAxon pka_strongest_basic 2.78 ChemAxon iupac ethyl 4-aminobenzoate ChemAxon average_mass 165.1891 ChemAxon mono_mass 165.078978601 ChemAxon smiles CCOC(=O)C1=CC=C(N)C=C1 ChemAxon formula C9H11NO2 ChemAxon inchi InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 ChemAxon inchikey BLFLLBZGZJTVJG-UHFFFAOYSA-N ChemAxon polar_surface_area 52.32 ChemAxon refractivity 47.53 ChemAxon polarizability 17.46 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 59 Specdb::CMs 853 Specdb::CMs 8346 Specdb::CMs 26770 Specdb::CMs 27456 Specdb::CMs 27459 Specdb::CMs 27521 Specdb::CMs 27587 Specdb::CMs 29600 Specdb::CMs 30897 Specdb::CMs 146641 Specdb::NmrTwoD 1947 Specdb::MsIr 2273 Specdb::MsIr 2274 Specdb::MsIr 2275 Specdb::NmrOneD 2012 Specdb::NmrOneD 2710 Specdb::NmrOneD 3402 Specdb::NmrOneD 54862 Specdb::NmrOneD 54863 Specdb::NmrOneD 54864 Specdb::NmrOneD 54865 Specdb::NmrOneD 54866 Specdb::NmrOneD 54867 Specdb::NmrOneD 54868 Specdb::NmrOneD 54869 Specdb::NmrOneD 54870 Specdb::NmrOneD 54871 Specdb::NmrOneD 54872 Specdb::NmrOneD 54873 Specdb::NmrOneD 54874 Specdb::NmrOneD 54875 Specdb::NmrOneD 54876 Specdb::NmrOneD 54877 Specdb::NmrOneD 54878 Specdb::NmrOneD 54879 Specdb::NmrOneD 54880 Specdb::NmrOneD 54881 Specdb::MsMs 2427 Specdb::MsMs 2428 Specdb::MsMs 2429 Specdb::MsMs 6042 Specdb::MsMs 6043 Specdb::MsMs 6044 Specdb::MsMs 6045 Specdb::MsMs 6046 Specdb::MsMs 6047 Specdb::MsMs 6048 Specdb::MsMs 6049 Specdb::MsMs 6050 Specdb::MsMs 6051 Specdb::MsMs 6052 Specdb::MsMs 259221 Specdb::MsMs 259222 Specdb::MsMs 259223 Specdb::MsMs 279159 Specdb::MsMs 279160 Specdb::MsMs 279161 Specdb::MsMs 374869 Specdb::MsMs 445801 Specdb::MsMs 445802 Specdb::MsMs 445803 Specdb::MsMs 445804 HMDB04992 #<Reference:0x000055ce32c6a970> #<Reference:0x000055ce32c6a790>