2-Amino-5-phenylpyrazine - ≥98%(GC)(T) , CAS No.13535-13-2

CAS: 13535-13-2 Cat. No.: A151408 Molecular Weight: 171.2 EC Number: 663-209-1

GRADE & PURITY ≥98%(GC)(T)

Synonyms

AC-27848 | 5-phenylpyrazin-2-amine | MFCD01646266 | AS-49434 | 2-Amino-5-phenylpyrazine, 97% | AKOS005254633 | DTXSID20344670 | SCHEMBL934072 | 2-Amino-5-phenylpyrazine | FT-0600548 | Z1255488587 | EN300-6294081 | I10232 | Pyrazinamine, 5-phenyl- | W-2054

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AC-27848 | 5-phenylpyrazin-2-amine | MFCD01646266 | AS-49434 | 2-Amino-5-phenylpyrazine, 97% | AKOS005254633 | DTXSID20344670 | SCHEMBL934072 | 2-Amino-5-phenylpyrazine | FT-0600548 | Z1255488587 | EN300-6294081 | I10232 | Pyrazinamine, 5-phenyl- | W-2054

Specifications & Purity

≥98%(GC)(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)(T)

Names and Identifiers

• Pubchem Sid: 488190603
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190603
• Canonical Smiles: C1=CC=C(C=C1)C2=CN=C(C=N2)N
• IUPAC Name: 5-phenylpyrazin-2-amine
• InChIKey: KJAKXVBZQBPPOB-UHFFFAOYSA-N
• INCHI: 1S/C10H9N3/c11-10-7-12-9(6-13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,13)
• Isomeric SMILES: C1=CC=C(C=C1)C2=CN=C(C=N2)N
• WGK Germany: 3
• Molecular Weight: 171.2
• Reaxy-Rn: 742978
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742978&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 Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrazine - Imidolactam - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Melt Point(°C): 146 °C
• Molecular Weight: 171.200 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.08 Da
• Monoisotopic Mass: 171.08 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 154.000
• 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