2-Ethyl-3-hydroxy-6-methylpyridine Succinate - ≥98%(T) , CAS No.127464-43-1

CAS: 127464-43-1 Cat. No.: E404399 Formule: C₈H₁₁NO•C₄H₄O₄ Poids moléculaire: 255.27 Numéro CE: 811-046-3

GRADE & PURITY ≥98%(T)

Synonyms

3-pyridinol, 2-ethyl-6-methyl-, butanedioate (1:1) (salt) | EMICIDIN | UNII-2R985002CT | mexiprim | A805706 | mexidol | MEXICOR | butanedioic acid;2-ethyl-6-methylpyridin-3-ol | Talsutin (Salt/Mix) | AB00694265-02 | SCHEMBL1010987 | AC-37198 | 2-Naphthace

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonymes

3-pyridinol, 2-ethyl-6-methyl-, butanedioate (1:1) (salt) | EMICIDIN | UNII-2R985002CT | mexiprim | A805706 | mexidol | MEXICOR | butanedioic acid;2-ethyl-6-methylpyridin-3-ol | Talsutin (Salt/Mix) | AB00694265-02 | SCHEMBL1010987 | AC-37198 | 2-Naphthace

Spécifications et pureté

≥98%(T)

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥98%(T)

Noms et identifiants

• Pubchem Sid: 488187668
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187668
• Sourires canoniques: CCC1=C(C=CC(=N1)C)O.C(CC(=O)O)C(=O)O
• IUPAC Name: butanedioic acid;2-ethyl-6-methylpyridin-3-ol
• InChIKey: IKMNOGHPKNFPTK-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO.C4H6O4/c1-3-7-8(10)5-4-6(2)9-7;5-3(6)1-2-4(7)8/h4-5,10H,3H2,1-2H3;1-2H2,(H,5,6)(H,7,8)
• Isomères SMILES: CCC1=C(C=CC(=N1)C)O.C(CC(=O)O)C(=O)O
• RTECS: EJ9967500
• Poids moléculaire: 255.27
• Reaxy-Rn: 4774239
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4774239&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Methylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylpyridines
• Alternative Parents: Hydroxypyridines Fatty acids and conjugates Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Hydroxypyridine - Methylpyridine - Dicarboxylic acid or derivatives - Fatty acid - Heteroaromatic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl 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

• Sensibilité: Air sensitive
• Point de fusion (°C): 113 °C
• Poids moléculaire: 255.270 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 255.111 Da
• Monoisotopic Mass: 255.111 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 198.000
• 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