4-Methoxyindole - CAS 4837-90-5

Catalog:	BB026533
Product Name:	4-Methoxyindole
CAS:	4837-90-5
Synonyms:	4-methoxy-1H-indole

Technical Data

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Computed Properties

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 ℃ (24 mmHg)
Purity:	98 %
Density:	1.169 g/cm³
Appearance:	Off-white powder
MDL:	MFCD00009737
LogP:	2.17650

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

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Related Functional Groups

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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

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