1.0 2010-04-08 22:09:19 UTC 2019-11-26 03:04:10 UTC FDB010829 2-(Ethylamino)-4,5-dihydroxybenzamide Alkaloid from Piper nigrum (pepper). 2-(Ethylamino)-4,5-dihydroxybenzamide is found in herbs and spices. 2-(Ethylamino)-4,5-dihydroxybenzamide, 9CI C9H12N2O3 196.2032 196.08479226 2-(ethylamino)-4,5-dihydroxybenzamide 2-(ethylamino)-4,5-dihydroxybenzamide 127793-87-7 CCNC1=CC(O)=C(O)C=C1C(N)=O InChI=1S/C9H12N2O3/c1-2-11-6-4-8(13)7(12)3-5(6)9(10)14/h3-4,11-13H,2H2,1H3,(H2,10,14) VAWDXOCBSZJIEL-UHFFFAOYSA-N belongs to the class of organic compounds known as anthranilamides. These are aromatic compound containing a benzene carboxamide moiety that carries an amine group at the 2-position of the benzene ring. Anthranilamides Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 2-aminobenzamides Amino acids and derivatives Aniline and substituted anilines Benzoyl derivatives Catechols Hydrocarbon derivatives Organic oxides Organooxygen compounds Organopnictogen compounds Phenylalkylamines Primary carboxylic acid amides Secondary alkylarylamines Vinylogous amides m-Aminophenols p-Aminophenols 1-hydroxy-2-unsubstituted benzenoid 2-aminobenzamide Amine Amino acid or derivatives Aminobenzamide Aminobenzoic acid or derivatives Aminophenol Aniline or substituted anilines Anthranilamide Aromatic homomonocyclic compound Benzoyl Carboxamide group Carboxylic acid derivative Catechol Hydrocarbon derivative M-aminophenol Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound P-aminophenol Phenol Phenylalkylamine Primary carboxylic acid amide Secondary aliphatic/aromatic amine Secondary amine Vinylogous amide logp 0.63 ALOGPS logs -1.56 ALOGPS solubility 5.34e+00 g/l ALOGPS logp 0.7 ChemAxon pka_strongest_acidic 8.79 ChemAxon pka_strongest_basic 3.99 ChemAxon iupac 2-(ethylamino)-4,5-dihydroxybenzamide ChemAxon average_mass 196.2032 ChemAxon mono_mass 196.08479226 ChemAxon smiles CCNC1=CC(O)=C(O)C=C1C(N)=O ChemAxon formula C9H12N2O3 ChemAxon inchi InChI=1S/C9H12N2O3/c1-2-11-6-4-8(13)7(12)3-5(6)9(10)14/h3-4,11-13H,2H2,1H3,(H2,10,14) ChemAxon inchikey VAWDXOCBSZJIEL-UHFFFAOYSA-N ChemAxon polar_surface_area 95.58 ChemAxon refractivity 54.04 ChemAxon polarizability 19.75 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5746 Specdb::MsIr 5747 Specdb::MsIr 5748 Specdb::CMs 18697 Specdb::CMs 42995 Specdb::CMs 169998 Specdb::NmrOneD 116258 Specdb::NmrOneD 116259 Specdb::NmrOneD 116260 Specdb::NmrOneD 116261 Specdb::NmrOneD 116262 Specdb::NmrOneD 116263 Specdb::NmrOneD 116264 Specdb::NmrOneD 116265 Specdb::NmrOneD 116266 Specdb::NmrOneD 116267 Specdb::NmrOneD 116268 Specdb::NmrOneD 116269 Specdb::NmrOneD 116270 Specdb::NmrOneD 116271 Specdb::NmrOneD 116272 Specdb::NmrOneD 116273 Specdb::NmrOneD 116274 Specdb::NmrOneD 116275 Specdb::NmrOneD 116276 Specdb::NmrOneD 116277 Specdb::MsMs 57951 Specdb::MsMs 57952 Specdb::MsMs 57953 Specdb::MsMs 113769 Specdb::MsMs 113770 Specdb::MsMs 113771 Specdb::MsMs 2808269 Specdb::MsMs 2808270 Specdb::MsMs 2808271 Specdb::MsMs 2897895 Specdb::MsMs 2897896 Specdb::MsMs 2897897 HMDB32852 #<Reference:0x000055ce3263f9b0> Herbs and Spices Unknown generic