4-Methoxyindole - CAS 4837-90-5
Catalog: |
BB026533 |
Product Name: |
4-Methoxyindole |
CAS: |
4837-90-5 |
Synonyms: |
4-methoxy-1H-indole |
IUPAC Name: | 4-methoxy-1H-indole |
Description: | 4-Methoxyindole (CAS# 4837-90-5) is a reactant for alpha-ethyltryptamines as dual dopamine-serotonin releasers. |
Molecular Weight: | 147.17 |
Molecular Formula: | C9H9NO |
Canonical SMILES: | COC1=CC=CC2=C1C=CN2 |
InChI: | InChI=1S/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-6,10H,1H3 |
InChI Key: | LUNOXNMCFPFPMO-UHFFFAOYSA-N |
Boiling Point: | 181-183 °C (24 mmHg) |
Purity: | 98 % |
Density: | 1.169 g/cm3 |
Appearance: | Off-white powder |
MDL: | MFCD00009737 |
LogP: | 2.17650 |
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-112574093-A | Novel green method for preparing 3-diaryl methyl substituted indole compound | 20210129 |
CN-112608262-A | Oxalic acid diselenide ester compound and synthesis method and application thereof | 20210112 |
CN-112778280-A | Anthraquinone natural product modified derivative | 20210108 |
CN-111303001-A | Synthesis method of indole mono-substituted 2-hydroxy-3- (1H-indol-3-yl) propionic acid compound | 20200410 |
WO-2021203023-A1 | Indole derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd) | 20200403 |
PMID | Publication Date | Title | Journal |
22425563 | 20120415 | Prospective acetylcholinesterase inhibitory activity of indole and its analogs | Bioorganic & medicinal chemistry letters |
20593832 | 20100728 | Effect of 4-methoxyindole-3-carbinol on the proliferation of colon cancer cells in vitro, when treated alone or in combination with indole-3-carbinol | Journal of agricultural and food chemistry |
20348432 | 20100301 | Innate immune responses activated in Arabidopsis roots by microbe-associated molecular patterns | The Plant cell |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
15740908 | 20050309 | HPLC and solubility study of the interaction between pindolol and cyclodextrins | Journal of pharmaceutical and biomedical analysis |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 25 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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