2-Methoxy-3,5-dimethylpyrazine - ≥95% , CAS No.92508-08-2

CAS: 92508-08-2 Cat. No.: M590738 Formule: C₇H₁₀N₂O Poids moléculaire: 138.17 Numéro CE: 809-795-6

GRADE & PURITY ≥95%

Synonyms

Pyrazine, 2-methoxy-3,5-dimethyl- | AKOS016004800 | DTXSID30423905 | 2-Methoxy-3,5-dimethylpyrimidine, 9CI | 2-Methoxy-3,5-dimethylpyrimidine | SCHEMBL1487932 | MFCD00126946 | DS-14642 | EN300-3445817 | CHEBI:193651 | 2-methoxy-3,5-dimethylpyrazine | BXKL

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonymes

Pyrazine, 2-methoxy-3,5-dimethyl- | AKOS016004800 | DTXSID30423905 | 2-Methoxy-3,5-dimethylpyrimidine, 9CI | 2-Methoxy-3,5-dimethylpyrimidine | SCHEMBL1487932 | MFCD00126946 | DS-14642 | EN300-3445817 | CHEBI:193651 | 2-methoxy-3,5-dimethylpyrazine | BXKL

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: CC1=CN=C(C(=N1)C)OC
• IUPAC Name: 2-methoxy-3,5-dimethylpyrazine
• InChIKey: BXKLSVWRSUPMBO-UHFFFAOYSA-N
• INCHI: 1S/C7H10N2O/c1-5-4-8-7(10-3)6(2)9-5/h4H,1-3H3
• Isomères SMILES: CC1=CN=C(C(=N1)C)OC
• Poids moléculaire: 138.17
• Reaxy-Rn: 775586
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=775586&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxypyrazines
• Alternative Parents: Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methoxypyrazine - Alkyl aryl ether - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methoxypyrazines. These are pyrazines containing a methoxyl group attached to the pyrazine ring.
• 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: 138.170 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 138.079 Da
• Monoisotopic Mass: 138.079 Da
• Topological Polar Surface Area: 35.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• 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

Références

1. Fan Yang, Wei Dai, Hua Xue, Wen Chen, Chen Liu, Yaru Tian, Wanli Cheng, Jibin Zhang.  (2025)  Efficacy of 2-undecanol produced by Paenibacillus polymyxa KM2501-1 in controlling Meloidogyne incognita.  Microbiology Spectrum,      [PMID:40569064] [10.1128/spectrum.03062-24]