6-(4-Morpholinyl)pyrazine-2-carboxylic acid - ≥95% , CAS No.40262-73-5

CAS: 40262-73-5 Cat. No.: M193248 Molecular Weight: 209.20

GRADE & PURITY ≥95%

Synonyms

6-morpholinopyrazine-2-carboxylic acid | 6-(4-morpholinyl) pyrazine-2-carboxylic acid | AM20070412 | 6-(4-Morpholinyl)pyrazine-2-carboxylicacid | 6-morpholin-4-ylpyrazine-2-carboxylic Acid | FT-0620805 | TS-00410 | UGQVLHNPKAAHDW-UHFFFAOYSA-N | BCP26663 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

6-morpholinopyrazine-2-carboxylic acid | 6-(4-morpholinyl) pyrazine-2-carboxylic acid | AM20070412 | 6-(4-Morpholinyl)pyrazine-2-carboxylicacid | 6-morpholin-4-ylpyrazine-2-carboxylic Acid | FT-0620805 | TS-00410 | UGQVLHNPKAAHDW-UHFFFAOYSA-N | BCP26663 |

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1COCCN1C2=NC(=CN=C2)C(=O)O
• IUPAC Name: 6-morpholin-4-ylpyrazine-2-carboxylic acid
• InChIKey: UGQVLHNPKAAHDW-UHFFFAOYSA-N
• INCHI: 1S/C9H11N3O3/c13-9(14)7-5-10-6-8(11-7)12-1-3-15-4-2-12/h5-6H,1-4H2,(H,13,14)
• Isomeric SMILES: C1COCCN1C2=NC(=CN=C2)C(=O)O
• Molecular Weight: 209.20
• Reaxy-Rn: 1123975
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1123975&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Pyrazine carboxylic acids and derivatives
• Direct Parent: Pyrazine carboxylic acids
• Alternative Parents: Dialkylarylamines Aminopyrazines Morpholines Imidolactams Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazine carboxylic acid - Dialkylarylamine - Aminopyrazine - Morpholine - Oxazinane - Imidolactam - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Boil Point(°C): 469.1℃
• Molecular Weight: 209.200 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 209.08 Da
• Monoisotopic Mass: 209.08 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 231.000
• 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