3-Chloro-6-methoxypyrazin-2-amine - ≥95% , CAS No.13484-56-5

CAS: 13484-56-5 Cat. No.: C587030 Peso molecular: 159.57

GRADE & PURITY ≥95%

Synonyms

C72387 | SCHEMBL4136927 | SB12255 | DS-5829 | NXASRWBWVZXWCY-UHFFFAOYSA-N | Pyrazinamine, 3-chloro-6-methoxy- | 3-Chloro-6-methoxypyrazin-2-amine | DTXSID10470790 | 2-Amino-3-chloro-6-methoxypyrazine | AKOS022172224 | MFCD20691296 | A900944

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

C72387 | SCHEMBL4136927 | SB12255 | DS-5829 | NXASRWBWVZXWCY-UHFFFAOYSA-N | Pyrazinamine, 3-chloro-6-methoxy- | 3-Chloro-6-methoxypyrazin-2-amine | DTXSID10470790 | 2-Amino-3-chloro-6-methoxypyrazine | AKOS022172224 | MFCD20691296 | A900944

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: COC1=CN=C(C(=N1)N)Cl
• IUPAC Name: 3-chloro-6-methoxypyrazin-2-amine
• InChIKey: NXASRWBWVZXWCY-UHFFFAOYSA-N
• INCHI: 1S/C5H6ClN3O/c1-10-3-2-8-4(6)5(7)9-3/h2H,1H3,(H2,7,9)
• Isómeros SMILES: COC1=CN=C(C(=N1)N)Cl
• Peso molecular: 159.57
• Reaxy-Rn: 608261
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=608261&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxypyrazines
• Alternative Parents: Aminopyrazines Alkyl aryl ethers Imidolactams Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methoxypyrazine - Alkyl aryl ether - Aminopyrazine - Aryl chloride - Aryl halide - Imidolactam - Heteroaromatic compound - Ether - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 159.570 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 159.02 Da
• Monoisotopic Mass: 159.02 Da
• Topological Polar Surface Area: 61.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 113.000
• 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