2-Acetyl-1-methylpyrrole - CAS 932-16-1
Catalog: |
BB040808 |
Product Name: |
2-Acetyl-1-methylpyrrole |
CAS: |
932-16-1 |
Synonyms: |
1-(1-methylpyrrol-2-yl)ethanone |
IUPAC Name: | 1-(1-methylpyrrol-2-yl)ethanone |
Description: | 2-Acetyl-1-methylpyrrole (CAS# 932-16-1) is a useful research chemical compound. |
Molecular Weight: | 123.15 |
Molecular Formula: | C7H9NO |
Canonical SMILES: | CC(=O)C1=CC=CN1C |
InChI: | InChI=1S/C7H9NO/c1-6(9)7-4-3-5-8(7)2/h3-5H,1-2H3 |
InChI Key: | NZFLWVDXYUGFAV-UHFFFAOYSA-N |
Boiling Point: | 200-202 °C |
Purity: | 98 % |
Density: | 1.04 g/cm3 |
Solubility: | 1.109e+004 mg/L at 25 °C (est) |
Appearance: | Clear colourless to light brown liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00003089 |
LogP: | 1.22770 |
Publication Number | Title | Priority Date |
JP-6945096-B1 | Adsorbent replacement method and fuel cell system | 20210416 |
CN-111559963-A | Long-wavelength benzoyl formic acid methyl ester photoinitiator and preparation method thereof | 20200520 |
CN-111499595-A | Novel morpholinyl acetophenone photoinitiator and preparation method thereof | 20200518 |
WO-2021161148-A1 | Antimicrobial compositions containing peroxyphthalic acid and/or salt thereof | 20200210 |
US-2021207274-A1 | Alternating current electrolysis for use in organic synthesis | 20200103 |
PMID | Publication Date | Title | Journal |
20141148 | 20100304 | Calorimetric and computational study of 2- and 3-acetyl-1-methylpyrrole isomers | The journal of physical chemistry. B |
12952422 | 20030910 | Effect of the pyrrole polymerization mechanism on the antioxidative activity of nonenzymatic browning reactions | Journal of agricultural and food chemistry |
12207495 | 20020911 | Antioxidative activity of heterocyclic compounds found in coffee volatiles produced by Maillard reaction | Journal of agricultural and food chemistry |
2917974 | 19890305 | Aging of proteins: immunological detection of a glucose-derived pyrrole formed during maillard reaction in vivo | The Journal of biological chemistry |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 123.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 123.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 22 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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