4-Aminobenzoic Acid
PubChem CID: 978
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| Compound Synonyms | 4-aminobenzoic acid, 150-13-0, p-aminobenzoic acid, PABA, para-aminobenzoic acid, AMINOBENZOIC ACID, Vitamin BX, p-Carboxyaniline, Benzoic acid, 4-amino-, 4-Carboxyaniline, Hachemina, Paraminol, Sunbrella, p-Carboxyphenylamine, 1-Amino-4-carboxybenzene, Pabacyd, Pabafilm, Pabamine, Paranate, Amben, Potaba, Romavit, Bacterial vitamin H1, Vitamin H', Anticanitic vitamin, Chromotrichia factor, RVPaba Lipstick, Papacidum, Rvpaba, Trichochromogenic factor, Anti-chromotrichia factor, Super Shade by Coppertone, Benzoic acid, p-amino-, Acidum paraminobenzoicum, benzoic acid, 4-amino, Caswell No. 033B, 4-azaniumylbenzoate, MFCD00007894, ABEE, Pabagel, Pabanol, 4-AMINO-BENZOIC ACID, Kyselina p-aminobenzoova, Vitamin H1, p-Aminobenzoesaeure, 4-Aminobenzoesaeure, 4-Carboxyphenylamine, p-amino-Benzoic acid, Acido p-aminobenzoico, PAB, gamma-Aminobenzoic acid, Aminobenzoate, Actipol, CCRIS 6209, EPA Pesticide Chemical Code 233300, Acido p-aminobenzoico [Italian], UNII-TL2TJE8QTX, BRN 0471605, HSDB 6840, Kyselina p-aminobenzoova [Czech], Aminobenzoic acid (USP), Aminobenzoic acid [USP], AI3-02436, para-aminobenzoate, Anticantic vitamin, NSC 7627, NSC-7627, EINECS 205-753-0, gamma-Aminobenzoate, Trochromogenic factor, AMINOBENZOIC ACID, PARA, Aniline-4-carboxylate, DTXSID6024466, CHEBI:30753, P-AMINO-BENZOATE, TL2TJE8QTX, .gamma.-Aminobenzoic acid, Aniline-4-carboxylic acid, CHEMBL542, DTXCID404466, component of Presun (Salt/Mix), P-AMINOBENZOIC ACID [MI], 4-Aminobenzoate, Potassium, AMINOBENZOIC ACID [MART.], EC 205-753-0, AMINOBENZOIC ACID [USP-RS], AMINOBENZOIC ACID [WHO-DD], 4-AMINOBENZOIC ACID [HSDB], PARA-AMINOBENZOIC ACID [IARC], PARA-AMINOBENZOIC ACID [VANDF], NCGC00091051-01, AMINOBENZOIC ACID [USP MONOGRAPH], 4-AMINOBENZOIC ACID [EP IMPURITY], 4-AMINOBENZOIC ACID [EP MONOGRAPH], 4-aminobenzoic acid, potassium salt, trichromogenic factor, 4 Aminobenzoic Acid, Potassium Salt, TETRACAINE HYDROCHLORIDE IMPURITY A [EP IMPURITY], PROCAINE BENZYLPENICILLIN IMPURITY A [EP IMPURITY], AMINOBENZOIC ACID (MART.), Paraminan, AMINOBENZOIC ACID (USP-RS), PARA-AMINOBENZOIC ACID (IARC), AMINOBENZOIC ACID (USP MONOGRAPH), CAS-150-13-0, SMR000471833, 4-AMINOBENZOIC ACID (EP IMPURITY), 4-aminobenzoic-acid, 4-AMINOBENZOIC ACID (EP MONOGRAPH), p-amino benzoic acid, TETRACAINE HYDROCHLORIDE IMPURITY A (EP IMPURITY), PROCAINE BENZYLPENICILLIN IMPURITY A (EP IMPURITY), pCarboxyaniline, 4Carboxyaniline, g-Aminobenzoate, Aminobenzoesaeure, 4-amino-benzoate, 4-ammoniobenzoate, Jumer Brand of Aminobenzoic Acid, Medea Brand of Aminobenzoic Acid, p-carboxy aniline, pCarboxyphenylamine, 4aminobenzoic acid, amino benzoic acid, p-aminobezoic acid, Llorens Brand of Aminobenzoic Acid, 4-aminobezoic acid, Acido paminobenzoico, g-Aminobenzoic acid, paraAminobenzoic acid, 1Amino4carboxybenzene, Benzoic acid, pamino, 4 - carboxy-aniline, 4-Amino benzoic acid, Benzoic acid, 4amino, Kyselina paminobenzoova, 4-(amino)benzoic acid, Antichromotrichia factor, Spectrum_000036, RVPaba lipstick (TN), potassium-p-aminobenzoate, Spectrum2_000123, Spectrum3_000294, Spectrum4_000142, Spectrum5_000778, P-Aminobenzoic Acid,(S), bmse000066, bmse000887, bmse000916, Epitope ID:115017, Llorens Brand of Aminobenzoic Acid Sodium Salt, SCHEMBL8249, 4-Aminobenzoic acid, 99%, Oprea1_221096, Benzoic acid, amino-(8CI), BSPBio_001828, KBioGR_000584, KBioSS_000396, MLS001066325, MLS001335919, MLS001335920, BIDD:ER0375, DivK1c_000783, 4-aminobenzoic acid zwitterion, SPBio_000166, p-Aminobenzoic acid, Free Acid, 4-Aminobenzoic acid (Standard), SCHEMBL13232108, CHEBI:22495, HY-B1008R, KBio1_000783, KBio2_000396, KBio2_002964, KBio2_005532, KBio3_001328, MSK3401, NSC7627, CHEBI:194474, NINDS_000783, HMS2269E10, HMS3870E13, Benzoic acid, amino-(8CI)(9CI), HY-B1008, Tox21_111069, Tox21_201702, Tox21_300087, BDBM50145829, s4510, STK397441, AKOS000118983, Tox21_111069_1, 1ST3401, AC-8107, CCG-266139, CS-4505, DB02362, FA17692, Glenwood brand of Potassium Aminobezoate, IDI1_000783, USEPA/OPP Pesticide Code: 233300, 4-Aminobenzoic acid, analytical standard, NCGC00091051-02, NCGC00091051-03, NCGC00091051-04, NCGC00253923-01, NCGC00259251-01, AS-12493, BP-31227, NCI60_041683, SY003749, SBI-0051277.P003, DB-028695, 4-Aminobenzoic acid, ReagentPlus(R), 99%, A0269, NS00003125, 4-Aminobenzoic acid, >=98.0% (HPLC/NT), EN300-17988, 4-Aminobenzoic acid, ReagentPlus(R), >=99%, C00568, D02456, 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, 98.5-100.2%, SAJ first grade, 4-Aminobenzoic acid, SAJ special grade, 99.5-100.2%, F2191-0259, 4A5E7DD8-8A22-4642-86BF-05B778C0C78E, 4-Aminobenzoic acid, European Pharmacopoeia (EP) Reference Standard, p-Aminobenzoic acid, Bacterial vitamin H1, p-Carboxyaniline, Vitamin H1, Aminobenzoic acid, United States Pharmacopeia (USP) Reference Standard, Aminobenzoic Acid, Pharmaceutical Secondary Standard, Certified Reference Material, 215-310-3 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 63.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Aminoacids, Simple phenolic acids |
| Deep Smiles | OC=O)cccccc6))N |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Description | Listed in the EAFUS Food Additive Database (Jan. 2001) but with no reported use 4-Aminobenzoic acid (also known as para-aminobenzoic acid or PABA) is an organic compound with the molecular formula C7H7NO2. PABA is a white crystalline substance that is only slightly soluble in water. It consists of a benzene ring substituted with an amino group and a carboxyl group., 4-Aminobenzoic acid, para-aminobenzoic acid, or simply PABA, is an organic compound with molecular formula C7H7NO2. PABA is a white crystalline substance that is only slightly soluble in water. It consists of a benzene ring substituted with an amino group and a carboxylic acid., A member of the vitamin B complex. It used to be a common sunscreening agent until found to also be a sensitizer. The potassium salt is used therapeutically in fibrotic skin disorders., PABA is an essential nutrient for some bacteria and is sometimes called Vitamin Bx. However, PABA is not essential for humans and it varies in its activity from other B vitamins. Although humans lack the ability to synthesize folate from PABA, it is sometimes marketed as an essential nutrient under the premise that it can stimulate intestinal bacteria., PABA is an essential nutrient for some bacteria and is sometimes called Vitamin Bx. In humans, PABA is normally made by E. coli in the colon and therefore PABA from food is not normally essential to human health. PABA is therefore not officially classified as a vitamin. PABA is an intermediate in bacterial synthesis of folate. Although humans lack the ability to synthesize folate from PABA, that is also normally done by E. coli. PABA is sometimes marketed as an essential nutrient for use whenever normal PABA synthesis by intestinal bacteria is insufficient. 4-Aminobenzoic acid is found in pineapple and rice. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzoic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 128.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-aminobenzoic acid |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 0.8 |
| Superclass | Benzenoids |
| Subclass | Benzoic acids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H7NO2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | ALYNCZNDIQEVRV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | «, gamma», -aminobenzoic acid, 1-Amino-4-carboxybenzene, 4-amino-Benzoate, 4-AMINO-BENZOIC ACID, 4-Aminobenzoate, 4-Aminobenzoesaeure, 4-Carboxyaniline, 4-Carboxyphenylamine, ABEE, Acido p-aminobenzoico, Acidum paraminobenzoicum, Actipol, Amben, Aminobenzoate, Aminobenzoate acid, Aminobenzoic acid, Aminobenzoic acid (usp), Aminobenzoic acid, para, Aminobenzoic acid, USAN, Aniline-4-carboxylate, Aniline-4-carboxylic acid, Anti-chromotrichia factor, Anticanitic vitamin, Anticantic vitamin, Antichromotrichia factor, Bacterial vitamin H1, Benzoic acid, 4-amino, Benzoic acid, 4-amino-, Benzoic acid, p-amino-, Chromotrichia factor, g-Aminobenzoate, g-Aminobenzoic acid, Gamma-aminobenzoate, Gamma-aminobenzoic acid, Hachemina, Kyselina P-aminobenzoova, M-aminobenzonitrile, P-amino-benzoate, P-amino-benzoic acid, P-aminobenzoate, P-Aminobenzoesaeure, P-aminobenzoic acid, P-carboxyaniline, P-carboxyphenylamine, PAB, PABA, Pabacyd, Pabafilm, Pabagel, Pabamine, Pabanol, Papacidum, Para-aminobenzoate, Para-aminobenzoic acid, Paraminol, Paranate, Potaba, Romavit, Rvpaba, Rvpaba lipstick, Rvpaba lipstick (TN), Sodium Aminobenzoate (4-Aminobenzoic Acid), Sunbrella, Super shade BY coppertone, Trichochromogenic factor, Trochromogenic factor, Vitamin BX, Vitamin H', γ-aminobenzoate, γ-aminobenzoic acid, 4-Amino-benzoic acid, gamma-Aminobenzoic acid, p-Aminobenzoesaeure, p-Carboxyaniline, p-Carboxyphenylamine, 4-Aminobenzoic acid, p-Aminobenzoate, RVPaba lipstick, 4-Amino-benzoate, gamma-Aminobenzoate, Γ-aminobenzoate, Γ-aminobenzoic acid, acido P-Aminobenzoico, P-amino-Benzoate, P-amino-Benzoic acid, Super shade by coppertone, 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, p-aminobenzoic acid |
| Substituent Name | Aminobenzoic acid, Benzoic acid, Substituted aniline, Benzyl alcohol, Benzoyl, Aniline, Primary aromatic amine, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Aromatic alcohol, Primary amine, Organooxygen compound, Organonitrogen compound, Carbonyl group, Amine, Aromatic homomonocyclic compound |
| Esol Class | Very soluble |
| Functional Groups | cC(=O)O, cN |
| Compound Name | 4-Aminobenzoic Acid |
| Kingdom | Organic compounds |
| Exact Mass | 137.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 137.048 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 137.14 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10) |
| Smiles | C1=CC(=CC=C1C(=O)O)N |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides, Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Aminobenzoic acids |
| Np Classifier Superclass | Phenolic acids (C6-C1), Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Ananas Comosus (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Sesamum Indicum (Plant) Rel Props:Reference:ISBN:9788172361792