1.0 2016-09-30 22:45:19 UTC 2020-05-11 20:48:39 UTC BMDB0001392 BMDB01392 p-Aminobenzoic acid 4-Aminobenzoic acid, also known as paba or p-aminobenzoate, 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-Aminobenzoic acid exists as a solid, possibly soluble (in water), and a moderately basic compound (based on its pKa) molecule. 4-Aminobenzoic acid exists in all living species, ranging from bacteria to humans. 1-Amino-4-carboxybenzene 4-Amino-benzoic acid 4-Aminobenzoesaeure 4-Carboxyaniline 4-Carboxyphenylamine ABEE gamma-Aminobenzoic acid p-Aminobenzoesaeure p-Carboxyaniline p-Carboxyphenylamine PABA Para-aminobenzoic acid 4-Aminobenzoic acid p-Aminobenzoate RVPaba lipstick 4-Amino-benzoate g-Aminobenzoate g-Aminobenzoic acid gamma-Aminobenzoate Γ-aminobenzoate Γ-aminobenzoic acid Para-aminobenzoate 4-Aminobenzoate acido P-Aminobenzoico Acidum paraminobenzoicum Actipol Amben Aminobenzoate Aminobenzoic acid Aniline-4-carboxylate Aniline-4-carboxylic acid Anti-chromotrichia factor Anticanitic vitamin Anticantic vitamin Antichromotrichia factor Bacterial vitamin H1 Chromotrichia factor Hachemina Kyselina P-aminobenzoova P-amino-Benzoate P-amino-Benzoic acid PAB Pabacyd Pabafilm Pabagel Pabamine Pabanol Papacidum Paraminol Paranate Potaba Romavit Rvpaba Sunbrella Super shade by coppertone Trichochromogenic factor Trochromogenic factor Vitamin BX Vitamin h' 4 Aminobenzoic acid 4 Aminobenzoic acid, potassium salt Epitelplast Jumer brand OF aminobenzoic acid Medea brand OF aminobenzoic acid Paraminan 4-Aminobenzoate, potassium Epit vit Llorens brand OF aminobenzoic acid Pabasan Potassium aminobenzoate 4-Aminobenzoic acid, potassium salt Aminobenzoate, potassium Glenwood brand OF potassium aminobezoate Llorens brand OF aminobenzoic acid sodium salt Magnesium para-aminobenzoate Potassium 4 aminobenzoate Potassium 4-aminobenzoate P Aminobenzoic acid Para aminobenzoic acid Para-aminobenzoate, magnesium p-Aminobenzoic acid C7H7NO2 137.136 137.047678473 4-aminobenzoic acid sunbrella 150-13-0 NC1=CC=C(C=C1)C(O)=O InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10) ALYNCZNDIQEVRV-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 Primary amines 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 Primary amine Aromatic homomonocyclic compounds aminobenzoic acid Solid melting_point 188.5 °C water_solubility 6.11 mg/mL logp 0.83 HANSCH,C ET AL. (1995) logp 0.78 ALOGPS logs -1.49 ALOGPS logp 0.8 ChemAxon pka_strongest_acidic 4.77 ChemAxon pka_strongest_basic 2.69 ChemAxon iupac 4-aminobenzoic acid ChemAxon average_mass 137.136 ChemAxon mono_mass 137.047678473 ChemAxon smiles NC1=CC=C(C=C1)C(O)=O ChemAxon formula C7H7NO2 ChemAxon inchi InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10) ChemAxon inchikey ALYNCZNDIQEVRV-UHFFFAOYSA-N ChemAxon polar_surface_area 63.32 ChemAxon refractivity 38.01 ChemAxon polarizability 13.44 ChemAxon rotatable_bond_count 1 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::EiMs 1958 Specdb::NmrOneD 1694 Specdb::NmrOneD 3843 Specdb::NmrOneD 4897 Specdb::NmrTwoD 1066 Specdb::NmrTwoD 1635 Specdb::MsIr 1242 Specdb::MsIr 1243 Specdb::MsIr 1244 Specdb::MsMs 1550 Specdb::MsMs 1551 Specdb::MsMs 1552 Specdb::MsMs 5237 Specdb::MsMs 5238 Specdb::MsMs 5239 Specdb::MsMs 5240 Specdb::MsMs 5241 Specdb::MsMs 5242 Specdb::MsMs 5243 Specdb::MsMs 5244 Specdb::MsMs 5245 Specdb::MsMs 5246 Specdb::MsMs 5248 Specdb::MsMs 179463 Specdb::MsMs 179464 Specdb::MsMs 179465 Specdb::MsMs 181791 Specdb::MsMs 181792 Specdb::MsMs 181793 Specdb::MsMs 437149 Specdb::MsMs 437150 Specdb::MsMs 437151 Specdb::MsMs 437152 Specdb::MsMs 437153 Specdb::CMs 738 Specdb::CMs 1324 Specdb::CMs 1512 Specdb::CMs 3087 Specdb::CMs 29667 Specdb::CMs 30450 Specdb::CMs 31320 Specdb::CMs 31321 Specdb::CMs 32042 Specdb::CMs 38052 Specdb::CMs 133068 Specdb::CMs 140802 Epidermis Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Fibroblasts Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Intestine Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Liver Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Milk Commercial whole milk with 3.25% fat Mung D, Li L: Applying quantitative metabolomics based on chemical isotope labeling LC-MS for detecting potential milk adulterant in human milk. Anal Chim Acta. 2018 Feb 25;1001:78-85. doi: 10.1016/j.aca.2017.11.019. Epub 2017 Nov 14. 29291809 Placenta Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Prostate Tissue Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 DB02362 FDB001037 C00568 953 978 C00001401 30753 P-AMINO-BENZOATE 4-Aminobenzoic_acid 3261 Sato, Ryu; Kimura, Koichi; Takahashi, Akira. Preparation of p-aminobenzoic acid from styrene polymers. Jpn. Kokai Tokkyo Koho (2007), 13pp. Mung D, Li L: Applying quantitative metabolomics based on chemical isotope labeling LC-MS for detecting potential milk adulterant in human milk. Anal Chim Acta. 2018 Feb 25;1001:78-85. doi: 10.1016/j.aca.2017.11.019. Epub 2017 Nov 14. 29291809