Compound: 4-aminobenzoic acid
SMILES: O=C(O)c1ccc(N)cc1
InChIKey: ALYNCZNDIQEVRV-UHFFFAOYSA-N
Synonyms: 4-aminobenzoic acid, 150-13-0, p-aminobenzoic acid, PABA, Vitamin BX, para-aminobenzoic acid, p-Carboxyaniline, Sunbrella, 4-Carboxyaniline, Paraminol, Pabacyd, Amben, Benzoic acid, 4-amino-, p-Carboxyphenylamine, Pabafilm, Pabamine, Paranate, Romavit, Vitamin H', Bacterial vitamin H1, 1-Amino-4-carboxybenzene, Anticanitic vitamin, Chromotrichia factor, RVPaba Lipstick, Trichochromogenic factor, Papacidum, Rvpaba, Anti-chromotrichia factor, Benzoic acid, p-amino-, Super Shade by Coppertone, Acidum paraminobenzoicum, ABEE, gamma-Aminobenzoic acid, Antichromotrichia factor, TL2TJE8QTX, DTXSID6024466, CHEBI:30753, Aminobenzoic acid (USP), Aminobenzoic acid [USP], DTXCID404466, Paraminan, 4-aminobenzoic acid, potassium salt, p Aminobenzoic Acid, para Aminobenzoic Acid, Aminobenzoate, Potassium, RefChem:97835, 4-Aminobenzoate, Potassium, para-Aminobenzoate, Magnesium, 4 Aminobenzoic Acid, Potassium Salt, 205-753-0, 4 Aminobenzoic Acid, AMINOBENZOIC ACID, Hachemina, MFCD00007894, Pabagel, Pabanol, 4-AMINO-BENZOIC ACID, benzoic acid, 4-amino, Caswell No. 033B, Kyselina p-aminobenzoova, Vitamin H1, PAB, 4-Carboxyphenylamine, Acido p-aminobenzoico, Actipol, Acido p-aminobenzoico [Italian], Kyselina p-aminobenzoova [Czech], Aniline-4-carboxylic acid, Anticantic vitamin, NSC 7627, p-Aminobenzoesaeure, 4-Aminobenzoesaeure, EPA Pesticide Chemical Code 233300, BRN 0471605, p-amino-Benzoic acid, AI3-02436, .gamma.-Aminobenzoic acid, CHEMBL542, AMINOBENZOIC ACID, PARA, NSC-7627, NCGC00091051-01, 4-azaniumylbenzoate, 4-aminobenzenecarboxylic acid, CAS-150-13-0, SMR000471833, 4-aminobenzoic-acid, p-amino benzoic acid, CCRIS 6209, HSDB 6840, UNII-TL2TJE8QTX, EINECS 205-753-0, Tetracaine EP Impurity A, Aminobenzoate, 4-ammoniobenzoate, p-carboxy aniline, amino benzoic acid, p-aminobezoic acid, gamma-Aminobenzoate, 4-aminobezoic acid, Trochromogenic factor, 4 - carboxy-aniline, Aniline-4-carboxylate, 4-Amino benzoic acid, 4-(amino)benzoic acid, Spectrum_000036, RVPaba lipstick (TN), P-AMINO-BENZOATE, potassium-p-aminobenzoate, 4-Aminobenzoic acid CRS, Spectrum2_000123, Spectrum3_000294, Spectrum4_000142, Spectrum5_000778, bmse000066, bmse000887, bmse000916, Epitope ID:115017, H-(4)Abz-OH, EC 205-753-0, SCHEMBL8249, 4-Aminobenzoic acid, 99%, p-Aminobenzenecarboxylic acid, Oprea1_221096, BSPBio_001828, KBioGR_000584, KBioSS_000396, MLS001066325, MLS001335919, MLS001335920, BIDD:ER0375, DivK1c_000783, SCHEMBL313191, 4-aminobenzoic acid zwitterion, SPBio_000166, orb1309023, orb3139212, p-Aminobenzoic acid, Free Acid, SCHEMBL2165513, SCHEMBL6631569, SCHEMBL6633059, 4-Aminobenzoic acid (Standard), component of Presun (Salt/Mix), SCHEMBL13232108, HY-B1008R, KBio1_000783, KBio2_000396, KBio2_002964, KBio2_005532, KBio3_001328, MeSH ID: D010129, MeSH ID: D062366, MSK3401, NSC7627, P-AMINOBENZOIC ACID [MI], AMINOBENZOIC ACID [MART.], CHEBI:194474, NINDS_000783, HMS2269E10, HMS3870E13, HMS5083J03, AMINOBENZOIC ACID [USP-RS], AMINOBENZOIC ACID [WHO-DD], 4-AMINOBENZOIC ACID [HSDB], HY-B1008, Tox21_111069, Tox21_201702, Tox21_300087, BDBM50145829, EBC-26078, s4510, SBB058665, STK397441, PARA-AMINOBENZOIC ACID [IARC], AKOS000118983, MSK3401-1000A, PARA-AMINOBENZOIC ACID [VANDF], Tox21_111069_1, AC-8107, CCG-266139, CS-4505, DB02362, FA17692, IDI1_000783, 4-Aminobenzoic acid, analytical standard, AMINOBENZOIC ACID [USP MONOGRAPH], NCGC00091051-02, NCGC00091051-03, NCGC00091051-04, NCGC00253923-01, NCGC00259251-01, AS-12493, BP-31227, NCI60_041683, SY003749, SBI-0051277.P003, 4-AMINOBENZOIC ACID [EP MONOGRAPH], DB-028695, 4-Aminobenzoic acid, ReagentPlus(R), 99%, A0269, NS00003125, ST50632536, 4-Aminobenzoic acid, >=98.0% (HPLC/NT), EN300-17988, 4-Aminobenzoic acid, ReagentPlus(R), >=99%, C00568, D02456, F046699, Q284959, 4-Aminobenzoic acid, Vetec(TM) reagent grade, 98%, 4-Aminobenzoic acid, purified by sublimation, >=99%, BRD-K58497451-237-10-7, Z57127446, 4-Aminobenzoic acid Solution in Acetonitrile, 1000ug/mL, 4-Aminobenzoic acid, 98.5-100.2%, SAJ first grade, 4-Aminobenzoic acid, SAJ special grade, 99.5-100.2%, F2191-0259, TETRACAINE HYDROCHLORIDE IMPURITY A [EP IMPURITY], 4A5E7DD8-8A22-4642-86BF-05B778C0C78E, PROCAINE BENZYLPENICILLIN IMPURITY A [EP IMPURITY], 4-Aminobenzoic acid, European Pharmacopoeia (EP) Reference Standard, Benzylpenicillin (procaine) monohydrate Impurity A [EP Impurity], Aminobenzoic acid, United States Pharmacopeia (USP) Reference Standard, Aminobenzoic Acid, Pharmaceutical Secondary Standard; Certified Reference Material, InChI=1/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10, 25136-77-0, Oxybuprocaine Hydrochloride EP Impurity A; Benzocaine EP Impurity G; Tetracaine Hydrochloride EP Impurity A
Theoretical properties:
molecular_formula: C7H7NO2
molecular_weight: 137.14 g/mol
exact_mass: 137.047678466 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 1
heavy_atom_count: 10
topological_polar_surface_area: 63.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Monoclinic prisms from dilute alcohol
color: Monoclinic prisms from dilute alcohol
odor: Odorless
melting_point: 370 to 372 °F (NTP, 1992)
density: 1.37 (NTP, 1992) - Denser than water; will sink
vapor_pressure: 0.000278 [mmHg]
Descriptions:
pubchem: 4-aminobenzoic acid is an aminobenzoic acid in which the amino group is para to the carboxy group. It has a role as an allergen, a plant metabolite and an Escherichia coli metabolite. It is functionally related to a benzoic acid. It is a conjugate base of a 4-carboxyanilinium. It is a conjugate acid of a 4-aminobenzoate. It is a tautomer of a 4-ammoniobenzoate.
chebi: A zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-aminobenzoic acid.
chembl: AMINOBENZOIC ACID is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: 4-Aminobenzoic acid (also known as para-aminobenzoic acid or PABA because the two functional groups are attached to the benzene ring across from one another in the para position) is an organic compound with the formula H2NC6H4CO2H.  PABA is a white crystalline solid, although commercial samples can appear gray.  It is slightly soluble in water.  It consists of a benzene ring substituted with amino and carboxyl groups.  The compound occurs extensively in the natural world.