1-Isoquinolinyl phenyl ketone - CAS 16576-23-1
Catalog: |
BB012215 |
Product Name: |
1-Isoquinolinyl phenyl ketone |
CAS: |
16576-23-1 |
Synonyms: |
isoquinolin-1-yl(phenyl)methanone |
IUPAC Name: | isoquinolin-1-yl(phenyl)methanone |
Description: | 1-Isoquinolinyl phenyl ketone (CAS# 16576-23-1 ) is a useful research chemical. |
Molecular Weight: | 233.26 |
Molecular Formula: | C16H11NO |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)C2=NC=CC3=CC=CC=C32 |
InChI: | InChI=1S/C16H11NO/c18-16(13-7-2-1-3-8-13)15-14-9-5-4-6-12(14)10-11-17-15/h1-11H |
InChI Key: | MDWCIKACMBMJFA-UHFFFAOYSA-N |
Boiling Point: | 418.5 ℃ at 760 mmHg |
Density: | 1.196 g/cm3 |
MDL: | MFCD00134167 |
LogP: | 3.46580 |
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 |
CN-108299291-A | It is acylated the synthetic method of quinoline or isoquinilone derivatives | 20180131 |
CN-108299291-B | It is acylated the synthetic method of quinoline or isoquinilone derivatives | 20180131 |
WO-2019142208-A1 | Ambient temperature curable non-isocyanate polyhydroxyalkylurethane moieties with aldehyde cross linker | 20180116 |
EP-2123691-A1 | Polymer compound and composition containing the same | 20070309 |
US-2010033086-A1 | Polymer compound and composition containing the same | 20070309 |
PMID | Publication Date | Title | Journal |
19477133 | 20090701 | Synthesis of quinolinyl and isoquinolinyl phenyl ketones as novel agonists for the cannabinoid CB2 receptor | Bioorganic & medicinal chemistry |
Complexity: | 296 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.084063974 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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Related Functional Groups
Quinoline/Isoquinoline
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