5-Chlorotryptamine - CAS 3764-94-1

Catalog:	BB023370
Product Name:	5-Chlorotryptamine
CAS:	3764-94-1
Synonyms:	2-(5-chloro-1H-indol-3-yl)ethanamine; 2-(5-chloro-1H-indol-3-yl)ethanamine

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Computed Properties

IUPAC Name:	2-(5-chloro-1H-indol-3-yl)ethanamine
Description:	5-Chlorotryptamine (CAS# 3764-94-1) is a useful research chemical.
Molecular Weight:	194.66
Molecular Formula:	C10H11ClN2
Canonical SMILES:	C1=CC2=C(C=C1Cl)C(=CN2)CCN
InChI:	InChI=1S/C10H11ClN2/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:	FVQKQPVVCKOWLM-UHFFFAOYSA-N
Boiling Point:	375.7 °C at 760 mmHg
Density:	1.294 g/cm³
Appearance:	Yellow to brown sticky oil to semi-solid
MDL:	MFCD00130168
LogP:	3.82480

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
CN-112438272-A	Evodiamine analog and application thereof in preventing and treating plant pathogenic fungi	20201203
WO-2021207365-A1	Reawakening of dormant tumor cells by modified lipids derived from stress activated neutrophils	20200407
CN-111116451-A	Polysubstituted tryptophane benzamide compound and preparation method and application thereof	20200116

PMID	Publication Date	Title	Journal
28302559	20170415	In vitro monoamine oxidase inhibition potential of alpha-methyltryptamine analog new psychoactive substances for assessing possible toxic risks	Toxicology letters
26599973	20160122	Cytochrome P450 inhibition potential of new psychoactive substances of the tryptamine class	Toxicology letters
20965726	20101201	5-benzyloxytryptamine as an antagonist of TRPM8	Bioorganic & medicinal chemistry letters
19151732	20090301	Metabolic reprogramming of periwinkle plant culture	Nature chemical biology
18082160	20080212	5-Fluorotryptamine is a partial agonist at 5-HT3 receptors, and reveals that size and electronegativity at the 5 position of tryptamine are critical for efficient receptor function	European journal of pharmacology

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Related Functional Groups

Indoles

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[109021-59-2]
7-Methoxy-1H-indole-3-carbaldehyde
[53995-78-1]
Ethyl 5,6-dichloro-1H-indole-2-carboxylate
[61149-52-8]
Ethyl 4-methyl-7-nitro-1H-indole-2-carboxylate
[6960-46-9]
Ethyl 7-nitroindole-2-carboxylate
[1477-50-5]
Indole-2-carboxylic acid

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GHS Hazard Statement:	H302 (100%): 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:	194.0610761
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	194.0610761
Rotatable Bond Count:	2
Topological Polar Surface Area:	41.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2