5,6-Dimethoxyindole - CAS 14430-23-0

Catalog:	BB009758
Product Name:	5,6-Dimethoxyindole
CAS:	14430-23-0
Synonyms:	5,6-dimethoxy-1H-indole

Technical Data

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Computed Properties

IUPAC Name:	5,6-dimethoxy-1H-indole
Description:	An indole derivative as analgesic antiinflammatory useful in treatment of pain, inflammation.
Molecular Weight:	177.20
Molecular Formula:	C10H11NO2
Canonical SMILES:	COC1=C(C=C2C(=C1)C=CN2)OC
InChI:	InChI=1S/C10H11NO2/c1-12-9-5-7-3-4-11-8(7)6-10(9)13-2/h3-6,11H,1-2H3
InChI Key:	QODBZRNBPUPLEZ-UHFFFAOYSA-N
Boiling Point:	198 °C 8mm 320.3 °C at 760 mmHg
Melting Point:	154-157 °C
Purity:	95 %
Density:	1.182 g/cm³
Appearance:	Beige powder
MDL:	MFCD00005675
LogP:	2.18510

Publication Number	Title	Priority Date
CN-111620885-A	Poly R-indole blue light absorber and preparation method and application thereof	20200630
WO-2020210649-A1	Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors	20190412
TW-202103708-A	Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors	20190412
US-2021154213-A1	Pharmacological agents for treating ocular diseases	20180405
CN-111247137-A	Pyrimidine compound, preparation method and medical application thereof	20180213

PMID	Publication Date	Title	Journal
21577822	20090905	Methyl 5,6-dimeth-oxy-1H-indole-2-carboxyl-ate	Acta crystallographica. Section E, Structure reports online
15163202	20040603	Generation of new protein kinase inhibitors utilizing cytochrome p450 mutant enzymes for indigoid synthesis	Journal of medicinal chemistry

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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:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.078978594
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.078978594
Rotatable Bond Count:	2
Topological Polar Surface Area:	34.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2