1-pyridin-2-yl-propan-2-one - CAS 6302-02-9
Catalog: |
BB031950 |
Product Name: |
1-pyridin-2-yl-propan-2-one |
CAS: |
6302-02-9 |
Synonyms: |
1-(2-pyridinyl)-2-propanone; 1-pyridin-2-ylpropan-2-one |
IUPAC Name: | 1-pyridin-2-ylpropan-2-one |
Description: | 1-pyridin-2-yl-propan-2-one (CAS# 6302-02-9) is an antimicrobial bioactive compound extracted from Lactarius vellereus fermenting liquor. |
Molecular Weight: | 135.16 |
Molecular Formula: | C8H9NO |
Canonical SMILES: | CC(=O)CC1=CC=CC=N1 |
InChI: | InChI=1S/C8H9NO/c1-7(10)6-8-4-2-3-5-9-8/h2-5H,6H2,1H3 |
InChI Key: | TZTXTIBZSSSFDI-UHFFFAOYSA-N |
Boiling Point: | 210.9 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.046 g/cm3 |
MDL: | MFCD00092717 |
LogP: | 1.21310 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111116576-A | Quinolizinone compound and preparation method thereof | 20191201 |
CN-112174949-A | Quinolizinone compound and preparation method thereof | 20191201 |
WO-2020239952-A1 | Amino quinazoline derivatives as p2x3 inhibitors | 20190531 |
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PMID | Publication Date | Title | Journal |
21785596 | 20110101 | Derivatization Ion Chromatography for the Determination of Monoethanolamine in Presence of Hydrazine in PHWR Steam-Water Circuits | International journal of analytical chemistry |
19673481 | 20090918 | (2-Pyridyl)acetone-promoted Cu-catalyzed O-arylation of phenols with aryl iodides, bromides, and chlorides | The Journal of organic chemistry |
19097722 | 20090220 | A generic approach for the determination of trace hydrazine in drug substances using in situ derivatization-headspace GC-MS | Journal of pharmaceutical and biomedical analysis |
18564853 | 20080715 | Analysis of hydrazine in drinking water by isotope dilution gas chromatography/tandem mass spectrometry with derivatization and liquid-liquid extraction | Analytical chemistry |
12879742 | 20030101 | Application of selectively acylated glycosides for the alpha-galactosidase-catalyzed synthesis of disaccharides | Folia microbiologica |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.068413911 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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