4-Aminobenzoic acid
CAS Number: 150-13-0
Molecular Mass: 137.14 g/mol
Formula: C7H7NO2
Smiles: Nc1ccc(C(=O)O)cc1
Synonymes:
4-Aminobenzoic acid, 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, Aminobenzoic Acid, USP, 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, Thermal analysis purity set, 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], 4-Aminobenzoic acid, PABA,Vitamin Bx,Vitamin H1, Benzoic acid, 4-amino-, , 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
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1,4-Dioxane | 298.25 | - | 117.0 | [24] |
| 1,4-Dioxane | 301.25 | - | 126.0 | [24] |
| 1,4-Dioxane | 304.65 | - | 140.0 | [24] |
| 1,4-Dioxane | 311.55 | - | 164.0 | [24] |
| 1,4-Dioxane | 317.75 | - | 189.6 | [24] |
| 1,4-Dioxane | 320.65 | - | 204.8 | [24] |
| 1,4-Dioxane | 324.85 | - | 225.9 | [24] |
| 1,4-Dioxane | 326.35 | - | 233.7 | [24] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 130.9421 |
| PMI2 | 641.4426 |
| PMI3 | 771.8618 |
| NPR1 | 0.1696 |
| NPR2 | 0.8310 |
| RadiusOfGyration | 2.3728 |
| InertialShapeFactor | 0.0063 |
| Eccentricity | 0.9855 |
| Asphericity | 0.5773 |
| SpherocityIndex | 0.0031 |
| PBF | 0.0627 |