4-Hydroxy-6-methylquinoline - CAS 23432-40-8
Catalog: |
BB018053 |
Product Name: |
4-Hydroxy-6-methylquinoline |
CAS: |
23432-40-8 |
Synonyms: |
4-Quinolinol, 6-methyl-; 6-Methyl-4-quinolinol; 6-Methyl-4-hydroxyquinoline; NSC 82351 |
Related CAS: | 97545-52-3 (tautomeric isomer)
|
IUPAC Name: | 6-methylquinolin-4-ol |
Molecular Weight: | 159.18 |
Molecular Formula: | C10H9NO |
Canonical SMILES: | CC1=CC2=C(C=C1)NC=CC2=O |
InChI: | InChI=1S/C10H9NO/c1-7-2-3-9-8(6-7)10(12)4-5-11-9/h2-6H,1H3,(H,11,12) |
InChI Key: | PJEUKNUOCWNERE-UHFFFAOYSA-N |
Boiling Point: | 321.8±22.0°C at 760 mmHg |
Melting Point: | 271-272°C |
Purity: | ≥95% |
Density: | 1.210±0.06 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00272343 |
LogP: | 2.24880 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021147386-A1 | Pyrrolidine and piperidine compounds | 20191106 |
WO-2021090245-A1 | Pyrrolidine and piperidine compounds | 20191106 |
WO-2020065613-A1 | Monoacylglycerol lipase modulators | 20180928 |
WO-2020065614-A1 | Monoacylglycerol lipase modulators | 20180928 |
JP-2021505598-A | Î'-3 adrenergic receptor modulator useful for the treatment or prevention of heart failure and related disorders | 20171206 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.068413911 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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Quinoline/Isoquinoline
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