6-Fluorotryptamine - CAS 575-85-9

Catalog:	BB029753
Product Name:	6-Fluorotryptamine
CAS:	575-85-9
Synonyms:	2-(6-fluoro-1H-indol-3-yl)ethanamine; 2-(6-fluoro-1H-indol-3-yl)ethanamine

Technical Data

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Patents

Literatures

Computed Properties

IUPAC Name:	2-(6-fluoro-1H-indol-3-yl)ethanamine
Description:	6-Fluorotryptamine (CAS# 575-85-9) is one of the arylalkylamines to undergo N-acetylation by homogenates of rat and sheep pineal glands.
Molecular Weight:	178.21
Molecular Formula:	C10H11FN2
Canonical SMILES:	C1=CC2=C(C=C1F)NC=C2CCN
InChI:	InChI=1S/C10H11FN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3-4,12H2
InChI Key:	BQTOKMYKZPCPRW-UHFFFAOYSA-N
Boiling Point:	346 ℃ at 760 mmHg
Density:	1.249 g/cm³
MDL:	MFCD00044761
LogP:	2.50850

Publication Number	Title	Priority Date
CN-112500412-A	Penamine A alkaloid structure simplification compound and application thereof	20201214
CN-112500412-B	Penamine A alkaloid structure simplification compound and application thereof	20201214
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
WO-2019156989-A1	COMPOUNDS AND METHODS FOR THE MODULATION OF AhR	20180206
US-2021079001-A1	Compounds and methods for the modulation of ahr	20180206

PMID	Publication Date	Title	Journal
17950494	20080601	Structure of a novel thrombin inhibitor with an uncharged D-amino acid as P1 residue	European journal of medicinal chemistry
16481164	20060501	Substrate specificity of strictosidine synthase	Bioorganic & medicinal chemistry letters
16324729	20060301	Natural and directed biosynthesis of communesin alkaloids	Phytochemistry

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Related Functional Groups

Amines and Anilines

[556-90-1]
Pseudothiohydantoin
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1550-50-1]
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[17583-40-3]
2-(Methylamino)benzonitrile

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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:	1.9