5-Methoxy-4-methylindole - CAS 302912-21-6

Name: 5-Methoxy-4-methylindole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB020524
Product Name:	5-Methoxy-4-methylindole
CAS:	302912-21-6
Synonyms:	5-methoxy-4-methyl-1H-indole

Technical Data

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Computed Properties

IUPAC Name:	5-methoxy-4-methyl-1H-indole
Description:	5-Methoxy-4-methylindole (CAS# 302912-21-6) is a useful research chemical compound.
Molecular Weight:	161.20
Molecular Formula:	C10H11NO
Canonical SMILES:	CC1=C(C=CC2=C1C=CN2)OC
InChI:	InChI=1S/C10H11NO/c1-7-8-5-6-11-9(8)3-4-10(7)12-2/h3-6,11H,1-2H3
InChI Key:	RISMXZVKSIWLMK-UHFFFAOYSA-N
Melting Point:	76-79 °C (lit.)
Purity:	95 %
MDL:	MFCD01863615
LogP:	2.48490

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Related Functional Groups

Indoles

[116952-58-0]C14H18N2O3
2-Ethoxycarbonyl-5-methoxytryptamine
[2642-37-7]C8H6KNO4S
Indoxyl sulfate potassium salt
[20776-45-8]C17H18N2O
5-Benzyloxytryptamine
[119910-45-1]C9H6BrNO
2-bromo-1H-indole-3-carbaldehyde
[37033-95-7]C18H17NO3
Ethyl 5-(benzyloxy)-1H-indole-2-carboxylate
[84639-06-5]C18H17NO3
Ethyl 7-(benzyloxy)-1H-indole-2-carboxylate

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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

Publication Number	Title	Priority Date
US-2010305326-A1	Chemical Fragment Screening and Assembly Utilizing Common Chemistry for NMR Probe Introduction and Fragment Linkage	20090602
AU-2009326110-A1	Pyridyloxyindoles inhibitors of VEGF-R2 and use thereof for treatment of disease	20081209
AU-2009326110-B2	Pyridyloxyindoles inhibitors of VEGF-R2 and use thereof for treatment of disease	20081209
AU-2009326110-B9	Pyridyloxyindoles inhibitors of VEGF-R2 and use thereof for treatment of disease	20081209
CA-2745922-A1	Pyridyloxyindoles inhibitors of vegf-r2 and use thereof for treatment of disease	20081209

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.084063974
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	161.084063974
Rotatable Bond Count:	1
Topological Polar Surface Area:	25 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4