TOOS - High-purity, ≥99% , CAS No.82692-93-1

CAS: 82692-93-1 Cat. No.: T1510188 분자식: C₁₂H₁₈NNaO₄S 분자량: 295.33 Beilstein Registry Number: 5689521 EC 번호: 617-377-8 PubChem CID: 23676159

GRADE & PURITY High-purity, ≥99%

Synonyms

3-[Ethyl(m-tolyl)amino]-2-hydroxy-1-propanesulfonic Acid Sodium Salt

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

동의어

3-[Ethyl(m-tolyl)amino]-2-hydroxy-1-propanesulfonic Acid Sodium Salt

사양 및 순도

High-purity, ≥99%

보관 조건

Protected from light,Store at -20°C

배송

Ice chest + Ice pads

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등급

High-purity

순수함

≥99%

이름과 식별자

• 정식 스마일: CCN(CC(CS(=O)(=O)[O-])O)C1=CC=CC(=C1)C.[Na+]
• IUPAC Name: sodium;3-(N-ethyl-3-methylanilino)-2-hydroxypropane-1-sulfonate
• InChIKey: IRQRBVOQGUPTLG-UHFFFAOYSA-M
• INCHI: 1S/C12H19NO4S.Na/c1-3-13(8-12(14)9-18(15,16)17)11-6-4-5-10(2)7-11;/h4-7,12,14H,3,8-9H2,1-2H3,(H,15,16,17);/q;+1/p-1
• 이성체 SMILES: CCN(CC(CS(=O)(=O)[O-])O)C1=CC=CC(=C1)C.[Na+]
• WGK 독일: 3
• PubChem CID: 23676159
• 분자량: 295.33
• Beilstein: 5689521

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Toluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotoluenes
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Sulfonyls Organosulfonic acids Alkanesulfonic acids Secondary alcohols 1,2-aminoalcohols Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - 1,2-aminoalcohol - Secondary alcohol - Tertiary amine - Organic alkali metal salt - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.
• 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

화학 및 물리적 특성

• 감도: Moisture & light sensitive.
• 분자량: 295.330 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 295.085 Da
• Monoisotopic Mass: 295.085 Da
• Topological Polar Surface Area: 89.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 344.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

참고 문헌

1. Tian-Jiao Zhou, Xing Wan, Meng-Meng Zhang, Dan-Meng Liu, Li-Ling Huang, Lei Xing, Yi Wang, Hu-Lin Jiang.  (2023)  Tumor microenvironment-initiated lipid redox cycling for efficient triple-negative breast cancer therapy.  BIOMATERIALS,      [PMID:37348324] [10.1016/j.biomaterials.2023.122205]

2. Haijiao Dong, Guancheng Wang, Kaizheng Feng, Xiaohan Wu, Yaoyao Fan, Wei Zhang, Ming Ma, Ning Gu, Yu Zhang.  (2022)  Reference material of Prussian blue nanozymes for their peroxidase-like activity.  ANALYST,  147  (24): (5633-5642).  [PMID:36373763] [10.1039/D2AN01401G]

3. Shao-Bin He, Hui-Jing Yang, Liu Yang, Hamada A. A. Noreldeen, Hua-Ping Peng, Hao-Hua Deng, Wei Chen, Guo-Lin Hong.  (2022)  Rutin as a coenzyme of Fe-doped silicon nanozyme with enhanced peroxidase-like activity for a colorimetric β-glucuronidase sensor.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2022.107771]

4. Zhen Lin, Linlin Zheng, Wensong Yao, Shijun Liu, Yemei Bu, Qi Zeng, Xiaomin Zhang, Haohua Deng, Xinhua Lin, Wei Chen.  (2020)  A facile route for constructing Cu–N–C peroxidase mimics.  Journal of Materials Chemistry B,  8  (37): (8599-8606).  [PMID:32820298] [10.1039/D0TB01494J]

5. He Shao-Bin, Chen Rui-Ting, Wu Yan-Yu, Wu Gang-Wei, Peng Hua-Ping, Liu Ai-Lin, Deng Hao-Hua, Xia Xing-Hua, Chen Wei.  (2019)  Improved enzymatic assay for hydrogen peroxide and glucose by exploiting the enzyme-mimicking properties of BSA-coated platinum nanoparticles.  MICROCHIMICA ACTA,  186  (12): (1-9).  [PMID:31728642] [10.1007/s00604-019-3939-y]

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does High-purity mean?

High-purity is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. High-purity is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 82692-93-1, the molecular formula is C12H18NNaO4S, and the molecular weight is 295.33 g/mol. InChIKey IRQRBVOQGUPTLG-UHFFFAOYSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.