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Basic Description
| Synonyms | 4-amino-1-methylbenzene-3-sulfonic acid | P-TOLUIDINE-M-SULFONIC ACID | 4-METHYL-2-SULFOANILINE | 6-Amino-m-toluenesulfonic acid (SO3H=1) | Benzenesulfonic acid, 2-amino-5-methyl- | NSC7544 | Ptmsptmsa | STR10464 | CAS-88-44-8 | 1-amino-4-methylbenzene-2- |
|---|---|
| Specifications & Purity | ≥98% |
| Shipped In | Normal |
| Product Description |
4-Aminotoluene-3-sulfonic acid acts as Schiff base ligand and forms binary and ternary complexes with Co(II), Ni(II), Cu(II) and Zn(II) ions |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzenesulfonic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonic acids and derivatives |
| Alternative Parents | Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Aminotoluenes Sulfonyls Organosulfonic acids Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Aminotoluene - Aniline or substituted anilines - Toluene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring. |
| External Descriptors | Not available |
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Associated Targets(Human)
TP53
Tchem
Cellular tumor antigen p53 (48468 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| Pubchem Sid | 488180214 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180214 |
| IUPAC Name | 2-amino-5-methylbenzenesulfonic acid |
| INCHI | InChI=1S/C7H9NO3S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11) |
| InChIKey | LTPSRQRIPCVMKQ-UHFFFAOYSA-N |
| Smiles | CC1=CC(=C(C=C1)N)S(=O)(=O)O |
| Isomeric SMILES | CC1=CC(=C(C=C1)N)S(=O)(=O)O |
| WGK Germany | 2 |
| RTECS | XT6320000 |
| UN Number | 2585 |
| Molecular Weight | 187.22 |
| Beilstein | 2211509 |
| Reaxy-Rn | 2211509 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2211509&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G1213047 |
Certificate of Analysis | May 31, 2024 | A110070 |
| E2411094 |
Certificate of Analysis | Mar 26, 2024 | A110070 |
| E2422230 |
Certificate of Analysis | Mar 26, 2024 | A110070 |
| E2422231 |
Certificate of Analysis | Mar 26, 2024 | A110070 |
| B2325312 |
Certificate of Analysis | Aug 29, 2022 | A110070 |
| K2205005 |
Certificate of Analysis | Aug 29, 2022 | A110070 |
| K2205004 |
Certificate of Analysis | Aug 29, 2022 | A110070 |
| K2205017 |
Certificate of Analysis | Aug 29, 2022 | A110070 |
Chemical and Physical Properties
| Solubility | Slightly soluble in water |
|---|---|
| Melt Point(°C) | 300°C |
| Molecular Weight | 187.220 g/mol |
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 187.03 Da |
| Monoisotopic Mass | 187.03 Da |
| Topological Polar Surface Area | 88.800 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 244.000 |
| 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 | 1 |
Citations of This Product
| 1. Lulu Zhou, Yujia Huo, Yajun Cheng, Wei Guang, Xinyi Sun, Weijun Deng, Jing Hu. (2023) One-Pot Controllable Synthesis of Silica Nanocapsules with Encapsulated Osmanthus Fragrance for Durable Odor Improvement of Leather. ACS Sustainable Chemistry & Engineering, 11 (32): (11799–11810). |
| 2. Zhai Qianqian, Zhao Wenxue, Lu Zhihua, Wang Jing, Zhao Di, Zhou Guangli. (2023) Trimethoxysilane Coupling Agents: Hydrolysis Kinetics by FTNIR PLS Model, Synthesis and Characterization of Fluorinated Silicone Resin. Silicon, 15 (9): (3945-3957). |
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