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D2304399Determine the necessary mass, volume, or concentration for preparing a solution.
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Basic Description
| Synonyms | 1-(3-Pyridenyl)ethanone | Ketone, methyl 3-pyridyl | 3-acetylpridine | BCP30667 | Methyl pyridyl ketone | Pyridine, 3-acetyl- | 1-(Pyridin-3-yl)ethan-1-one (3-Acetylpyridine) | 3-acetyl pyridine | CAS-350-03-8 | EINECS 206-496-7 | F2108-0105 | 1-(pyridin- |
|---|---|
| Specifications & Purity | analytical standard, ≥99%(GC) |
| Shipped In | Normal |
| Grade | analytical standard |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
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Subclass
Carbonyl compounds
- Level5 Ketones
- Level6 Aryl ketones
- Level7 Aryl alkyl ketones
- Level6 Aryl ketones
- Level5 Ketones
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Subclass
Carbonyl compounds
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Class
Organooxygen compounds
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Superclass
Organic oxygen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones |
| Direct Parent | Aryl alkyl ketones |
| Alternative Parents | Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl alkyl ketone - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. |
| External Descriptors | Not available |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| Pubchem Sid | 504751848 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751848 |
| IUPAC Name | 1-pyridin-3-ylethanone |
| INCHI | InChI=1S/C7H7NO/c1-6(9)7-3-2-4-8-5-7/h2-5H,1H3 |
| InChIKey | WEGYGNROSJDEIW-UHFFFAOYSA-N |
| Smiles | CC(=O)C1=CN=CC=C1 |
| Isomeric SMILES | CC(=O)C1=CN=CC=C1 |
| WGK Germany | 3 |
| RTECS | OB5425000 |
| UN Number | 2810 |
| Molecular Weight | 121.14 |
| Beilstein | 107751 |
| Reaxy-Rn | 107751 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107751&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Freezing Point(°C) | 12 °C |
|---|---|
| Refractive Index | 1.5326-1.5346 |
| Flash Point(°F) | 219.2 °F |
| Flash Point(°C) | 104°C |
| Boil Point(°C) | 220°C |
| Melt Point(°C) | 12-13°C |
| Molecular Weight | 121.140 g/mol |
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 121.053 Da |
| Monoisotopic Mass | 121.053 Da |
| Topological Polar Surface Area | 30.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 111.000 |
| 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 |
Citations of This Product
| 1. Wang Yichun, Xia Yu. (2024) Deep profiling of plasmalogens by coupling the Paternò–Büchi derivatization with tandem mass spectrometry. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 416 (19): (4397-4407). |
Solution Calculators
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