4-Aminobenzoic acid sodium salt - CP, ≥98% , CAS No.555-06-6

CAS: 555-06-6 Cat. No.: A111607 Molecular Weight: 159.12 Beilstein Registry Number: 14418 EC Number: 209-080-3

GRADE & PURITY CP, ≥98%

Synonyms

Sodium 4-aminobenzoate|555-06-6|Aminobenzoate sodium|4-Aminobenzoic acid sodium salt|Sodium p-aminobenzoate|Sodium aminobenzoate|Antergyl|Benzoic acid, 4-amino-, monosodium salt|sodium;4-aminobenzoate|Sodium para-aminobenzoate|Benzoic acid, p-amino-, mono

Storage

Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonyms

Sodium 4-aminobenzoate | 555-06-6 | Aminobenzoate sodium | 4-Aminobenzoic acid sodium salt | Sodium p-aminobenzoate | Sodium aminobenzoate | Antergyl | Benzoic acid, 4-amino-, monosodium salt | sodium;4-aminobenzoate | Sodium para-aminobenzoate | Benzoic acid, p-amino-, mono

Specifications & Purity

CP, ≥98%

Storage

Desiccated, Room temperature

Shipped In

Normal

Grade

CP

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1C(=O)[O-])N.[Na+]
• IUPAC Name: sodium;4-aminobenzoate
• InChIKey: XETSAYZRDCRPJY-UHFFFAOYSA-M
• INCHI: 1S/C7H7NO2.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,8H2,(H,9,10);/q;+1/p-1
• Isomeric SMILES: C1=CC(=CC=C1C(=O)[O-])N.[Na+]
• WGK Germany: 3
• RTECS: DG2975000
• Molecular Weight: 159.12
• Beilstein: 14418
• Reaxy-Rn: 4163974
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4163974&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Aminobenzoic acids and derivatives
          • Level6 Aminobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Aminobenzoic acids and derivatives
• Direct Parent: Aminobenzoic acids
• Alternative Parents: Benzoic acids Benzoyl derivatives Aniline and substituted anilines Carboxylic acid salts Amino acids Monocarboxylic acids and derivatives Carboxylic acids Primary amines Organopnictogen compounds Organooxygen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzoic acid - Benzoic acid - Benzoyl - Aniline or substituted anilines - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): >300°C
• Molecular Weight: 159.120 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 159.03 Da
• Monoisotopic Mass: 159.03 Da
• Topological Polar Surface Area: 66.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 132.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Wenlong Zhang, Lan Wang, Hanxiang Li, Penghai Xu, Fei Yi, Ying Chen, Xingwen Liu, Longyao Wang.  (2023)  A Gemini viscoelastic surfactant stabilized by steric hindrance group on its spacer to construct wormlike micelle structure in concentrated brines.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2023.122275]

2. Lin Gao, Yongsheng Tu, Ruoshui Li, Fengli Liu, Xiaosong Qiu, Yuan Xu, Dongbin Jiang, Zhenbo Du, Yunhui Liu, Jihuai Wu, Miaoliang Huang, Zhang Lan.  (2024)  High efficiency carbon-based CsPbI2Br solar cells achieved by bidirectional passivation of cadmium p-aminobenzoate.  JOURNAL OF POWER SOURCES,      [PMID:] [10.1016/j.jpowsour.2024.235420]

3. Yuwan Tian, Qibo Li, Cheng Wen, Nanchuan Wang, Zhaoding Zeng.  (2025)  LDH-inhibitor conversion film on steel rebar for mitigating chloride-induced corrosion in reinforced concrete environment.  CONSTRUCTION AND BUILDING MATERIALS,      [PMID:] [10.1016/j.conbuildmat.2025.144306]