5-Methoxypyrazine-2-carboxylic acid - ≥96% , CAS No.40155-42-8

CAS: 40155-42-8 Cat. No.: M339526 Peso molecular: 154.13 Número EC: 695-964-8

GRADE & PURITY ≥96%

Synonyms

SY019412 | 5-METHOXYPYRAZINE-2-CARBOXYLICACID | AM85755 | GS-0931 | STL557102 | AB60459 | PS-8894 | 2-Pyrazinecarboxylicacid, 5-methoxy- | 5-METHOXYPYRAZINE-2-CARBOXYLIC ACPUBCHEM_EXT_DATASOURCE_REGID | LY3202626 metabolite M3 | M3181 | UNII-59BH2L3SRF |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

SY019412 | 5-METHOXYPYRAZINE-2-CARBOXYLICACID | AM85755 | GS-0931 | STL557102 | AB60459 | PS-8894 | 2-Pyrazinecarboxylicacid, 5-methoxy- | 5-METHOXYPYRAZINE-2-CARBOXYLIC ACPUBCHEM_EXT_DATASOURCE_REGID | LY3202626 metabolite M3 | M3181 | UNII-59BH2L3SRF |

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 488201230
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201230
• Sonrisas canónicas: COC1=NC=C(N=C1)C(=O)O
• IUPAC Name: 5-methoxypyrazine-2-carboxylic acid
• InChIKey: YVGVOPNUEFTVQO-UHFFFAOYSA-N
• INCHI: 1S/C6H6N2O3/c1-11-5-3-7-4(2-8-5)6(9)10/h2-3H,1H3,(H,9,10)
• Isómeros SMILES: COC1=NC=C(N=C1)C(=O)O
• Peso molecular: 154.13
• Reaxy-Rn: 908499
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=908499&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrazines
        • Level5 Pyrazine carboxylic acids and derivatives
          • Level6 Pyrazine carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Pyrazine carboxylic acids and derivatives
• Direct Parent: Pyrazine carboxylic acids
• Alternative Parents: Methoxypyrazines Alkyl aryl ethers Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazine carboxylic acid - Methoxypyrazine - Alkyl aryl ether - Heteroaromatic compound - Azacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrazine carboxylic acids. These are heterocyclic compounds containing a pyrazine ring substituted by one or more carboxylic acid groups.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 196.0°C-200.0 °C
• Peso molecular: 154.120 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 154.038 Da
• Monoisotopic Mass: 154.038 Da
• Topological Polar Surface Area: 72.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 151.000
• 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