5-[4-(Dimethylamino)phenyl]-1,3-cyclohexanedione - CAS 144128-70-1
Catalog: |
BB009730 |
Product Name: |
5-[4-(Dimethylamino)phenyl]-1,3-cyclohexanedione |
CAS: |
144128-70-1 |
Synonyms: |
5-[4-(dimethylamino)phenyl]cyclohexane-1,3-dione |
IUPAC Name: | 5-[4-(dimethylamino)phenyl]cyclohexane-1,3-dione |
Description: | 5-[4-(Dimethylamino)phenyl]-1,3-cyclohexanedione (CAS# 144128-70-1) is a useful research chemical. |
Molecular Weight: | 231.29 |
Molecular Formula: | C14H17NO2 |
Canonical SMILES: | CN(C)C1=CC=C(C=C1)C2CC(=O)CC(=O)C2 |
InChI: | InChI=1S/C14H17NO2/c1-15(2)12-5-3-10(4-6-12)11-7-13(16)9-14(17)8-11/h3-6,11H,7-9H2,1-2H3 |
InChI Key: | WANNTJAQMZXABU-UHFFFAOYSA-N |
Density: | 1.147 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00174364 |
LogP: | 2.15830 |
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 |
WO-2013068592-A1 | Inhibitors of cystathionine beta synthase to reduce the neurotoxic overproduction of endogenous hydrogen sulfide | 20111110 |
CA-2556653-C | Tetrahydroquinolinones and their use as antagonists of metabotropic glutamate receptors | 20040227 |
EA-010656-B1 | TETRAGIDROCHINOLINONES AND THEIR APPLICATION AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS | 20040227 |
EP-1723116-A2 | Tetrahydroquinolinones and their use as antagonists of metabotropic glutamate receptors | 20040227 |
EP-1723116-B1 | Tetrahydroquinolinones and their use as antagonists of metabotropic glutamate receptors | 20040227 |
Complexity: | 287 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.125928785 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.125928785 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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