2,6-Dimethylquinoline - CAS 877-43-0
Catalog: |
BB038621 |
Product Name: |
2,6-Dimethylquinoline |
CAS: |
877-43-0 |
Synonyms: |
2,6-dimethylquinoline |
IUPAC Name: | 2,6-dimethylquinoline |
Description: | 2,6-Dimethylquinoline (CAS# 877-43-0) is a useful research chemical compound. |
Molecular Weight: | 157.21 |
Molecular Formula: | C11H11N |
Canonical SMILES: | CC1=CC2=C(C=C1)N=C(C=C2)C |
InChI: | InChI=1S/C11H11N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3-7H,1-2H3 |
InChI Key: | JJPSZKIOGBRMHK-UHFFFAOYSA-N |
Boiling Point: | 266-267 °C |
Melting Point: | 56-60 °C |
Purity: | > 99.0 % (GC) |
Density: | 1.052 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD00006762 |
LogP: | 2.85160 |
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-113264876-A | Method for selectively catalyzing and hydrogenating aromatic heterocyclic compounds by non-hydrogen participation | 20210528 |
CN-113082125-A | Traditional Chinese medicine for clearing lung and abating fever and application thereof | 20210406 |
CN-112979619-A | Method for catalyzing dehydrogenation coupling reaction of nitrogen heteroaromatic ring compound and cyclic ether by using Bronsted acid | 20210128 |
CN-112047925-A | Preparation method of N- (aryl/heteroaryl) alkyl-diamide | 20200916 |
CN-112047925-B | Preparation method of N- (aryl/heteroaryl) alkyl-diamide | 20200916 |
PMID | Publication Date | Title | Journal |
30896932 | 20190415 | Bioactivation of Quinolines in a Recombinant Estrogen Receptor Transactivation Assay Is Catalyzed by N-Methyltransferases | Chemical research in toxicology |
19110342 | 20090501 | Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques | European journal of medicinal chemistry |
17061553 | 20060801 | [Studies on chemical constituents from roots of Peucedanum praeruptorum II] | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica |
15916432 | 20050602 | Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors | Journal of medicinal chemistry |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.089149355 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.089149355 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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