1.0 2018-06-25 21:50:10 UTC 2020-03-13 17:33:35 UTC BMDB0062093 BMDB62093 4-(Methylamino)benzoic acid 4-(Methylamino)benzoic acid belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety. 4-(Methylamino)benzoic acid is possibly soluble (in water) and a strong basic compound (based on its pKa). 4-(Methylamino)benzoate p-Methylaminobenzoic acid 4-Methylaminobenzoic acid C8H9NO2 151.1626 151.063328537 4-(methylamino)benzoic acid N-methyl-4-aminobenzoate CNC1=CC=C(C=C1)C(O)=O InChI=1S/C8H9NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11) ZVIDMSBTYRSMAR-UHFFFAOYSA-N belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety. Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aminobenzoic acids Amino acids Aniline and substituted anilines Benzoic acids Benzoyl derivatives Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Organopnictogen compounds Phenylalkylamines Secondary alkylarylamines Amine Amino acid Amino acid or derivatives Aminobenzoic acid Aniline or substituted anilines Aromatic homomonocyclic compound Benzoic acid Benzoyl Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylalkylamine Secondary aliphatic/aromatic amine Secondary amine Aromatic homomonocyclic compounds aminobenzoic acid logp 1.12 ALOGPS logs -1.74 ALOGPS logp 0.93 ChemAxon pka_strongest_acidic 4.8 ChemAxon pka_strongest_basic 3.09 ChemAxon iupac 4-(methylamino)benzoic acid ChemAxon average_mass 151.1626 ChemAxon mono_mass 151.063328537 ChemAxon smiles CNC1=CC=C(C=C1)C(O)=O ChemAxon formula C8H9NO2 ChemAxon inchi InChI=1S/C8H9NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11) ChemAxon inchikey ZVIDMSBTYRSMAR-UHFFFAOYSA-N ChemAxon polar_surface_area 49.33 ChemAxon refractivity 43.51 ChemAxon polarizability 15.59 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 1064627 Specdb::MsMs 1064628 Specdb::MsMs 1064629 Specdb::MsMs 1187405 Specdb::MsMs 1187406 Specdb::MsMs 1187407 Specdb::CMs 1420 Specdb::CMs 1565 Specdb::CMs 93115 Milk Melzer N, Wittenburg D, Hartwig S, Jakubowski S, Kesting U, Willmitzer L, Lisec J, Reinsch N, Repsilber D: Investigating associations between milk metabolite profiles and milk traits of Holstein cows. J Dairy Sci. 2013 Mar;96(3):1521-34. doi: 10.3168/jds.2012-5743. 23438684 C03522 66345 Melzer N, Wittenburg D, Hartwig S, Jakubowski S, Kesting U, Willmitzer L, Lisec J, Reinsch N, Repsilber D: Investigating associations between milk metabolite profiles and milk traits of Holstein cows. J Dairy Sci. 2013 Mar;96(3):1521-34. doi: 10.3168/jds.2012-5743. 23438684