Acetylpyrazine - CAS 22047-25-2
Catalog: |
BB017319 |
Product Name: |
Acetylpyrazine |
CAS: |
22047-25-2 |
Synonyms: |
1-pyrazin-2-ylethanone |
IUPAC Name: | 1-pyrazin-2-ylethanone |
Description: | Acetylpyrazine (CAS# 22047-25-2) is a useful research chemical. |
Molecular Weight: | 122.12 |
Molecular Formula: | C6H6N2O |
Canonical SMILES: | CC(=O)C1=NC=CN=C1 |
InChI: | InChI=1S/C6H6N2O/c1-5(9)6-4-7-2-3-8-6/h2-4H,1H3 |
InChI Key: | DBZAKQWXICEWNW-UHFFFAOYSA-N |
Boiling Point: | 212.9 °C at 760 mmHg |
Melting Point: | 75-78°C |
Flash Point: | 84.4°C |
Density: | 1.136 g/cm3 |
Appearance: | Light yellow to yellow-brownish powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00006134 |
LogP: | 0.67920 |
Refractive Index: | 1.518 |
Stability: | Stable under normal temperatures and pressures. |
Vapor Pressure: | 0.095mmHg at 25°C |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-11033516-B1 | Combination therapies with disulfiram | 20200918 |
WO-2021113743-A1 | Small molecule rpn13 inhibitors with antitumor properties | 20191206 |
WO-2021110273-A1 | Encapsulated odorants based on natural amino acids | 20191205 |
WO-2021104619-A1 | Particulate products and method for production thereof | 20191127 |
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PMID | Publication Date | Title | Journal |
22807728 | 20120701 | Aqua-[1-(pyrazin-2-yl)ethanone oximato-κ²N,N'][1-(pyrazin-2-yl)ethanone oxime-κ²N,N'](thio-cyanato-κN)nickel(II) | Acta crystallographica. Section E, Structure reports online |
22611347 | 20120101 | Synthesis, Characterization and In Vitro Antibacterial Studies of Organotin(IV) Complexes with 2-Hydroxyacetophenone-2-methylphenylthiosemicarbazone (H(2)dampt) | Bioinorganic chemistry and applications |
22219796 | 20111101 | Dichlorido{N-[1-(pyrazin-2-yl)ethyl-idene-κN]ethane-1,2-diamine-κN,N'}zinc | Acta crystallographica. Section E, Structure reports online |
22091124 | 20110801 | Benzyl 3-[(E)-1-(pyrazin-2-yl)ethyl-idene]dithio-carbazate | Acta crystallographica. Section E, Structure reports online |
21754211 | 20110401 | 3-(2-Hy-droxy-phen-yl)-1-{(E)-[1-(pyrazin-2-yl)ethyl-idene]amino}-thio-urea monohydrate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 122.048012819 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 122.048012819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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