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

CAS: 127464-43-1 Cat. No.: E404399 분자식: C₈H₁₁NO•C₄H₄O₄ 분자량: 255.27 EC 번호: 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

동의어

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

사양 및 순도

≥98%(T)

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥98%(T)

이름과 식별자

• Pubchem Sid: 488187668
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187668
• 정식 스마일: 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)
• 이성체 SMILES: CCC1=C(C=CC(=N1)C)O.C(CC(=O)O)C(=O)O
• RTECS: EJ9967500
• 분자량: 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
    • 분류 Pyridines and derivatives
      • Subclass Methylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Air sensitive
• 녹는점(°C): 113 °C
• 분자량: 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