2-Hydroxy-6-methylpyrazine - ≥98% , CAS No.20721-18-0

CAS: 20721-18-0 Cat. No.: H111406 Formula: C₅H₆N₂O Molecular Weight: 110.11 EC Number: 965-338-1

GRADE & PURITY ≥98%

Synonyms

2-Hydroxy-6-methylpyrazine|6-methylpyrazin-2-ol|20721-18-0|6-methyl-1H-pyrazin-2-one|6-Methylpyrazin-2-one|2(1H)-Pyrazinone, 6-methyl-|MFCD08705761|6-methylpyrazin-2-ol 2-Hydroxy-6-methylpyrazine|NSC143141|SCHEMBL2629277|DTXSID00301408|AKOS006290027|AKOS

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-Hydroxy-6-methylpyrazine | 6-methylpyrazin-2-ol | 20721-18-0 | 6-methyl-1H-pyrazin-2-one | 6-Methylpyrazin-2-one | 2(1H)-Pyrazinone, 6-methyl- | MFCD08705761 | 6-methylpyrazin-2-ol 2-Hydroxy-6-methylpyrazine | NSC143141 | SCHEMBL2629277 | DTXSID00301408 | AKOS006290027 | AKOS

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504758309
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758309
• Canonical Smiles: CC1=CN=CC(=O)N1
• IUPAC Name: 6-methyl-1H-pyrazin-2-one
• InChIKey: KXUOIHWSSNTEPE-UHFFFAOYSA-N
• INCHI: 1S/C5H6N2O/c1-4-2-6-3-5(8)7-4/h2-3H,1H3,(H,7,8)
• Isomeric SMILES: CC1=CN=CC(=O)N1
• Molecular Weight: 110.11
• Reaxy-Rn: 108409
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108409&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazines
• Alternative Parents: Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazine - Heteroaromatic compound - Lactam - Azacycle - 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 pyrazines. These are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms.
• 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

Chemical and Physical Properties

• Molecular Weight: 110.110 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 110.048 Da
• Monoisotopic Mass: 110.048 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 169.000
• 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

Frequently Asked Questions

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.

How is this product shipped?

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

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

The CAS Number is 20721-18-0, the molecular formula is C5H6N2O, and the molecular weight is 110.11 g/mol. InChIKey KXUOIHWSSNTEPE-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.