2-Ethylnicotinic acid - ≥98% , CAS No.3421-76-9

CAS: 3421-76-9 Cat. No.: E192848 Formule: C₈H₉NO₂ Poids moléculaire: 151.16

GRADE & PURITY ≥98%

Synonyms

DTXSID10333457 | 2-ethylnicotinic acid | AKOS016009684 | SY041645 | 2-Ethylnicotinicacid | MFCD18072523 | SCHEMBL123202 | 2-ethylpyridine-3-carboxylic acid | 3-pyridinecarboxylic acid,2-ethyl- | FT-0749309 | SB53659 | O10770 | A21642 | AMY4702 | DS-5135 |

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

DTXSID10333457 | 2-ethylnicotinic acid | AKOS016009684 | SY041645 | 2-Ethylnicotinicacid | MFCD18072523 | SCHEMBL123202 | 2-ethylpyridine-3-carboxylic acid | 3-pyridinecarboxylic acid,2-ethyl- | FT-0749309 | SB53659 | O10770 | A21642 | AMY4702 | DS-5135 |

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: CCC1=C(C=CC=N1)C(=O)O
• IUPAC Name: 2-ethylpyridine-3-carboxylic acid
• InChIKey: RESGCFMULOVHHB-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO2/c1-2-7-6(8(10)11)4-3-5-9-7/h3-5H,2H2,1H3,(H,10,11)
• Isomères SMILES: CCC1=C(C=CC=N1)C(=O)O
• Poids moléculaire: 151.16
• Reaxy-Rn: 387467
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=387467&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 151.160 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 151.063 Da
• Monoisotopic Mass: 151.063 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 147.000
• 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

Foire aux questions

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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

The CAS Number is 3421-76-9, the molecular formula is C8H9NO2, and the molecular weight is 151.16 g/mol. InChIKey RESGCFMULOVHHB-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.