Hexanophenone - CAS 942-92-7
Catalog: |
BB041263 |
Product Name: |
Hexanophenone |
CAS: |
942-92-7 |
Synonyms: |
1-phenylhexan-1-one |
IUPAC Name: | 1-phenylhexan-1-one |
Description: | Hexanophenone (CAS# 942-92-7) is an inhibitor of carbonyl reductase activity in pig's heart cytosol. A useful research chemical. |
Molecular Weight: | 176.25 |
Molecular Formula: | C12H16O |
Canonical SMILES: | CCCCCC(=O)C1=CC=CC=C1 |
InChI: | InChI=1S/C12H16O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3 |
InChI Key: | MAHPVQDVMLWUAG-UHFFFAOYSA-N |
Boiling Point: | 265.1 °C |
Melting Point: | 25-26 °C |
Purity: | 95 % |
Density: | 0.958 g/mL at 25 °C (lit.) |
Appearance: | Clear light yellow liquid after melting |
MDL: | MFCD00009512 |
LogP: | 3.44960 |
GHS Hazard Statement: | H315 (97.5%): 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 |
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PMID | Publication Date | Title | Journal |
22389323 | 20120401 | Synthesis of nitrogen-rich mesoporous carbon nitride with tunable pores, band gaps and nitrogen content from a single aminoguanidine precursor | ChemSusChem |
21159349 | 20110107 | An extraction technique for analytical sample preparation in aqueous solution based on controlling dispersion of ionic surfactant assemblies in isotachophoretic migration | Journal of chromatography. A |
18597534 | 20080801 | Stereoselective bioreduction of bulky-bulky ketones by a novel ADH from Ralstonia sp | The Journal of organic chemistry |
17373555 | 20070201 | Inhibition of carbonyl reductase activity in pig heart by alkyl phenyl ketones | Journal of enzyme inhibition and medicinal chemistry |
12812469 | 20030625 | Is it possible to estimate the enantioselectivity of a chiral catalyst from its racemic mixture? | Journal of the American Chemical Society |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.120115130 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.120115130 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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