4-Methylindole - CAS 16096-32-5

Catalog:	BB011688
Product Name:	4-Methylindole
CAS:	16096-32-5
Synonyms:	4-methyl-1H-indole; 4-methyl-1H-indole

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Computed Properties

IUPAC Name:	4-methyl-1H-indole
Description:	4-Methylindole (CAS# 16096-32-5) is a useful research chemical.
Molecular Weight:	131.17
Molecular Formula:	C9H9N
Canonical SMILES:	CC1=C2C=CNC2=CC=C1
InChI:	InChI=1S/C9H9N/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6,10H,1H3
InChI Key:	PZOUSPYUWWUPPK-UHFFFAOYSA-N
Boiling Point:	267 °C
Density:	1.062 g/cm³
LogP:	2.47630

Publication Number	Title	Priority Date
CN-112574093-A	Novel green method for preparing 3-diaryl methyl substituted indole compound	20210129
CN-112778280-A	Anthraquinone natural product modified derivative	20210108
KR-102291584-B1	Molecular diagnosis method for disease diagnosis of companion animals and livestock	20201125
CN-111748344-A	Synthesis method of full-color fluorescent carbon dots, and product and application thereof	20200720
CN-111303001-A	Synthesis method of indole mono-substituted 2-hydroxy-3- (1H-indol-3-yl) propionic acid compound	20200410

PMID	Publication Date	Title	Journal
31201936	20191001	Mono-methylindoles induce CYP1A genes and inhibit CYP1A1 enzyme activity in human hepatocytes and HepaRG cells	Toxicology letters
20386699	20100408	An odorant receptor from the southern house mosquito Culex pipiens quinquefasciatus sensitive to oviposition attractants	PloS one
19553372	20090101	Tobacco plastid transformation using the feedback-insensitive anthranilate synthase [alpha]-subunit of tobacco (ASA2) as a new selectable marker	Journal of experimental botany
19325801	20080601	Key labeling technologies to tackle sizeable problems in RNA structural biology	International journal of molecular sciences
18060408	20080301	Use of 4-methylindole or 7-methyl-DL-tryptophan in a transformant selection system based on the feedback-insensitive anthranilate synthase alpha-subunit of tobacco (ASA2)	Plant cell reports

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Related Functional Groups

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Indoxyl sulfate potassium salt
[20776-45-8]
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Ethyl 2-amino-5-chloro-1H-indole-3-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

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	131.073499291
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	131.073499291
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4