2-Amino-6-methylpyrazine - ≥97% , CAS No.5521-56-2

CAS: 5521-56-2 Cat. No.: A185169 Molecular Weight: 109.1 EC Number: 691-008-9

GRADE & PURITY ≥97%

Synonyms

2-amino-6-methylpyrazine, AldrichCPR | pyrazinamine, 6-methyl- | AKOS005259769 | AB43812 | DTXSID80481792 | SY021601 | Z1203578408 | Q-103333 | PS-9272 | 6-Methyl-pyrazin-2-ylamine | BL002901 | SCHEMBL5309165 | A7991 | AC-24530 | BCP23344 | 2-Amino-6-Meth

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

2-amino-6-methylpyrazine, AldrichCPR | pyrazinamine, 6-methyl- | AKOS005259769 | AB43812 | DTXSID80481792 | SY021601 | Z1203578408 | Q-103333 | PS-9272 | 6-Methyl-pyrazin-2-ylamine | BL002901 | SCHEMBL5309165 | A7991 | AC-24530 | BCP23344 | 2-Amino-6-Meth

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504767005
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767005
• Canonical Smiles: CC1=CN=CC(=N1)N
• IUPAC Name: 6-methylpyrazin-2-amine
• InChIKey: UAOOJJPSCLNTOP-UHFFFAOYSA-N
• INCHI: 1S/C5H7N3/c1-4-2-7-3-5(6)8-4/h2-3H,1H3,(H2,6,8)
• Isomeric SMILES: CC1=CN=CC(=N1)N
• Molecular Weight: 109.1
• Reaxy-Rn: 108474
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108474&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 Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrazine - Imidolactam - Heteroaromatic compound - Azacycle - Organic nitrogen 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

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Melt Point(°C): 124 °C
• Molecular Weight: 109.130 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 109.064 Da
• Monoisotopic Mass: 109.064 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.100
• 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

References

1. Han Zhang, Heping Cui, Xue Xia, Shahzad Hussain, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho.  (2024)  Control Formation of Furans and Pyrazines Resulting from Dual Glycation Sites in Nα,Nε-Di(1-deoxy-d-xylulos-1-yl)lysine via Elevating Thermal Degradation Temperatures.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:39481093] [10.1021/acs.jafc.4c07733]