5-Fluorotryptamine - CAS 576-16-9

Catalog:	BB029769
Product Name:	5-Fluorotryptamine
CAS:	576-16-9
Synonyms:	2-(5-fluoro-1H-indol-3-yl)ethanamine; 2-(5-fluoro-1H-indol-3-yl)ethanamine

Technical Data

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Computed Properties

IUPAC Name:	2-(5-fluoro-1H-indol-3-yl)ethanamine
Description:	5-Fluorotryptamine (CAS# 576-16-9) is a useful research chemical.
Molecular Weight:	178.21
Molecular Formula:	C10H11FN2
Canonical SMILES:	C1=CC2=C(C=C1F)C(=CN2)CCN
InChI:	InChI=1S/C10H11FN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
InChI Key:	ZKIORVIXEWIOGB-UHFFFAOYSA-N
Boiling Point:	346 °C at 760 mmHg
Density:	1.249 g/cm³
MDL:	MFCD00797830
LogP:	2.50850

Publication Number	Title	Priority Date
WO-2021207365-A1	Reawakening of dormant tumor cells by modified lipids derived from stress activated neutrophils	20200407
CN-112010838-A	Naphthalimide-indole derivative-based intracellular reticulum fluorescent probe and application thereof	20190531
CN-112010838-B	Naphthalimide-indole derivative-based intracellular reticulum fluorescent probe and application thereof	20190531
CN-109879888-B	Forrestrex carbazole base A compound and preparation method and application thereof	20190401
WO-2019244939-A1	Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element using same, and production method for said liquid crystal display element, and diamine compound	20180619

PMID	Publication Date	Title	Journal
26599973	20160122	Cytochrome P450 inhibition potential of new psychoactive substances of the tryptamine class	Toxicology letters
22793255	20120823	Evaluation of new scaffolds of myeloperoxidase inhibitors by rational design combined with high-throughput virtual screening	Journal of medicinal chemistry
21090682	20101223	Structure-based design, synthesis, and pharmacological evaluation of 3-(aminoalkyl)-5-fluoroindoles as myeloperoxidase inhibitors	Journal of medicinal chemistry
20965726	20101201	5-benzyloxytryptamine as an antagonist of TRPM8	Bioorganic & medicinal chemistry letters
18498149	20080617	A hydrogen bond in loop A is critical for the binding and function of the 5-HT3 receptor	Biochemistry

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Related Functional Groups

Indoles

[116952-58-0]
2-Ethoxycarbonyl-5-methoxytryptamine
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[2642-37-7]
Indoxyl sulfate potassium salt
[20776-45-8]
5-Benzyloxytryptamine
[467458-46-4]
Ethyl 3-formyl-1H-indole-5-carboxylate
[927181-98-4]
Ethyl 3-formyl-1H-indole-7-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:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.09062652
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	178.09062652
Rotatable Bond Count:	2
Topological Polar Surface Area:	41.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7