2-Morpholinonicotinic acid - ≥97% , CAS No.423768-54-1

CAS: 423768-54-1 Cat. No.: M170291 分子式: C₁₀H₁₂N₂O₃ 分子量: 208.21 EC番号: 874-076-6

GRADE & PURITY ≥97%

Synonyms

2-(4-Morpholino)nicotinic acid | AKOS000213416 | J-510133 | 2-Morpholinonicotinic Acid | FT-0613111 | MFCD03086193 | SY003211 | 6Z-0242 | HMS1678H11 | 2-morpholin-4-ylnicotinic acid | 2-morpholinopyridine-3-carboxylic acid | SDCCGMLS-006605

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

同義語

2-(4-Morpholino)nicotinic acid | AKOS000213416 | J-510133 | 2-Morpholinonicotinic Acid | FT-0613111 | MFCD03086193 | SY003211 | 6Z-0242 | HMS1678H11 | 2-morpholin-4-ylnicotinic acid | 2-morpholinopyridine-3-carboxylic acid | SDCCGMLS-006605

仕様と純度

≥97%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

• カノニカル・スマイル: C1COCCN1C2=C(C=CC=N2)C(=O)O
• IUPAC Name: 2-morpholin-4-ylpyridine-3-carboxylic acid
• InChIKey: YDUPMJIUJMCXAL-UHFFFAOYSA-N
• INCHI: 1S/C10H12N2O3/c13-10(14)8-2-1-3-11-9(8)12-4-6-15-7-5-12/h1-3H,4-7H2,(H,13,14)
• 異性体SMILES: C1COCCN1C2=C(C=CC=N2)C(=O)O
• WGKドイツ: 3
• 分子量: 208.21
• Reaxy-Rn: 1116622
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1116622&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Dialkylarylamines Aminopyridines and derivatives Morpholines Imidolactams Vinylogous amides Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Dialkylarylamine - Aminopyridine - Morpholine - Oxazinane - Imidolactam - Heteroaromatic compound - Vinylogous amide - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid 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

化学的性質と物理的性質

• 分子量: 208.210 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 208.085 Da
• Monoisotopic Mass: 208.085 Da
• Topological Polar Surface Area: 62.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 229.000
• 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

参考文献

1. Min Zheng, Zhihao Yan, Xingbang Hu, Zhuoheng Tu, Youting Wu.  (2023)  Tetrazole-Based Deep Eutectic Solvents with Multiple Hydrogen Bonding Sites for Highly Efficient Uptake of NH3.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.3c03104]

よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. 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 423768-54-1, the molecular formula is C10H12N2O3, and the molecular weight is 208.21 g/mol. InChIKey YDUPMJIUJMCXAL-UHFFFAOYSA-N.

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.