5-Amino-6-chloro-2,3-dicyanopyrazine - ≥98% , CAS No.56413-96-8

CAS: 56413-96-8 Cat. No.: A151770 Molecular Weight: 179.57 EC Number: 679-786-8

GRADE & PURITY ≥98%

Synonyms

FT-0640385 | 5-Amino-6-chloro-2,3-pyrazinedicarbonitrile | MFCD00191417 | D2269 | 5-Amino-6-chloro-2,3-dicyanopyrazine | AKOS015854655 | 5-amino-6-chloro-pyrazine-2,3-dicarbonitrile | 5-amino-6-chloropyrazine-2,3-dicarbonitrile | 2-amino-3-chloro-5,6-dicy

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

FT-0640385 | 5-Amino-6-chloro-2, 3-pyrazinedicarbonitrile | MFCD00191417 | D2269 | 5-Amino-6-chloro-2, 3-dicyanopyrazine | AKOS015854655 | 5-amino-6-chloro-pyrazine-2, 3-dicarbonitrile | 5-amino-6-chloropyrazine-2, 3-dicarbonitrile | 2-amino-3-chloro-5, 6-dicy

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504759471
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759471
• Canonical Smiles: C(#N)C1=C(N=C(C(=N1)N)Cl)C#N
• IUPAC Name: 5-amino-6-chloropyrazine-2,3-dicarbonitrile
• InChIKey: CDKQWBZSAPRZNS-UHFFFAOYSA-N
• INCHI: 1S/C6H2ClN5/c7-5-6(10)12-4(2-9)3(1-8)11-5/h(H2,10,12)
• Isomeric SMILES: C(#N)C1=C(N=C(C(=N1)N)Cl)C#N
• Molecular Weight: 179.57
• Reaxy-Rn: 785092
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=785092&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: Aminopyrazines
• Alternative Parents: Imidolactams Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrazine - Aryl chloride - Aryl halide - Imidolactam - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Primary amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminopyrazines. These are organic compounds containing an amino group attached to a 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Melt Point(°C): 208 °C
• Molecular Weight: 179.570 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 179 Da
• Monoisotopic Mass: 179 Da
• Topological Polar Surface Area: 99.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 260.000
• 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