Quinoline N-Oxide - CAS 1613-37-2
Catalog: |
BB011729 |
Product Name: |
Quinoline N-Oxide |
CAS: |
1613-37-2 |
Synonyms: |
1-oxidoquinolin-1-ium; 1-oxidoquinolin-1-ium |
IUPAC Name: | 1-oxidoquinolin-1-ium |
Description: | Quinoline N-Oxide (CAS# 1613-37-2) is a useful research chemical. |
Molecular Weight: | 145.16 |
Molecular Formula: | C9H7NO |
Canonical SMILES: | C1=CC=C2C(=C1)C=CC=[N+]2[O-] |
InChI: | InChI=1S/C9H7NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H |
InChI Key: | GIIWGCBLYNDKBO-UHFFFAOYSA-N |
Boiling Point: | 173 °C / 4 mmHg |
Density: | 1.13 g/cm3 |
LogP: | 2.26830 |
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 |
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PMID | Publication Date | Title | Journal |
21986700 | 20111221 | An efficient copper-catalyzed synthesis of anilines by employing aqueous ammonia | Organic & biomolecular chemistry |
21082135 | 20110107 | Functionalisation of heteroaromatic N-oxides using organic superbase catalyst | Organic & biomolecular chemistry |
19746974 | 20091007 | Palladium-catalyzed alkenylation of quinoline-N-oxides via C-H activation under external-oxidant-free conditions | Journal of the American Chemical Society |
17180971 | 20061201 | Reaction kinetics and transformation of carbadox and structurally related compounds with aqueous chlorine | Environmental science & technology |
16805390 | 20060301 | [Cellular mechanisms of induction of apoptosis in human erythroleukaemic K562 cells line treated by quinoline-N-oxide derivatives] | Biomeditsinskaia khimiia |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.052763847 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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Quinoline/Isoquinoline
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