5-methylpyrazine-2-carbaldehyde - ≥97% , CAS No.50866-30-3

CAS: 50866-30-3 Cat. No.: M176646 Formula: C₆H₆N₂O Peso molecolare: 122.127 Numero EC: 695-971-6

QUALITÀ & PUREZZA ≥97%

Synonyms

5-methyl-2-formylpyrazine | AMY15960 | EN300-101690 | AKOS012321434 | 5-Methyl-pyrazine-2-carbaldehyde | 5-METHYLPYRAZINE-2-CARBALDEHYDE | 5-Methylpyrazine-2-carboxaldehyde | A7535 | 5-METHYL-2-PYRAZINECARBALDEHYDE | PB23818 | SCHEMBL1206325 | J-517820 |

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

5-methyl-2-formylpyrazine | AMY15960 | EN300-101690 | AKOS012321434 | 5-Methyl-pyrazine-2-carbaldehyde | 5-METHYLPYRAZINE-2-CARBALDEHYDE | 5-Methylpyrazine-2-carboxaldehyde | A7535 | 5-METHYL-2-PYRAZINECARBALDEHYDE | PB23818 | SCHEMBL1206325 | J-517820 |

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488198490

Sorrisi canonici

CC1=CN=C(C=N1)C=O

IUPAC Name

5-methylpyrazine-2-carbaldehyde

InChIKey

JUPFEWGPEBACJP-UHFFFAOYSA-N

INCHI

1S/C6H6N2O/c1-5-2-8-6(4-9)3-7-5/h2-4H,1H3

Isomeri SMILES

CC1=CN=C(C=N1)C=O

Peso molecolare

122.127

Reaxy-Rn

4305878

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4305878&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Aryl-aldehydes
• Alternative Parents: Pyrazines Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-aldehyde - Pyrazine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic 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

Proprietà chimiche e fisiche

• Peso molecolare: 122.120 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 122.048 Da
• Monoisotopic Mass: 122.048 Da
• Topological Polar Surface Area: 42.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 105.000
• 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