3-Ethylaniline - CAS 587-02-0
Catalog: |
BB030133 |
Product Name: |
3-Ethylaniline |
CAS: |
587-02-0 |
Synonyms: |
3-ethylaniline |
IUPAC Name: | 3-ethylaniline |
Description: | 3-Ethylaniline acts as a reagent in the design, synthesis and biological evaluation of thienopyrimidine hydroxamic acid based derivatives as structurally novel histone deacetylase (HDAC) inhibitors. Synthesis and biological evaluation of novel 2-aminonicotinamide derivatives as antifungal agents. |
Molecular Weight: | 121.18 |
Molecular Formula: | C8H11N |
Canonical SMILES: | CCC1=CC(=CC=C1)N |
InChI: | InChI=1S/C8H11N/c1-2-7-4-3-5-8(9)6-7/h3-6H,2,9H2,1H3 |
InChI Key: | AMKPQMFZCBTTAT-UHFFFAOYSA-N |
Boiling Point: | 212 °C |
Melting Point: | -8 °C |
Purity: | 95 % |
Density: | 0.975 g/cm3 |
Appearance: | Clear brownish liquid |
MDL: | MFCD00007818 |
LogP: | 2.41240 |
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PMID | Publication Date | Title | Journal |
25178734 | 20150501 | Protective effects of ascorbic acid against the genetic and epigenetic alterations induced by 3,5-dimethylaminophenol in AA8 cells | Journal of applied toxicology : JAT |
22270843 | 20120301 | Synthesis, anticancer activity and radiosensitizing evaluation of some new 2-pyridone derivatives | Arzneimittel-Forschung |
19887514 | 20100101 | Monocyclic aromatic amines as potential human carcinogens: old is new again | Carcinogenesis |
18600475 | 20090301 | Development of selective agonists and antagonists of P2Y receptors | Purinergic signalling |
19304562 | 20090301 | Synthesis and pharmacological investigation of novel 4-(3-ethylphenyl)-1-substituted-4H-[1,2,4]triazolo[4,3-a] quinazolin-5-ones as a new class of H1-antihistaminic agents | Acta pharmaceutica (Zagreb, Croatia) |
Complexity: | 80.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 121.089149355 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 121.089149355 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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Amines and Anilines
Nitrogen Compounds
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