N-Ethyl-4-hydroxy-N-methyltryptamine - CAS 77872-41-4

Catalog:	BB036061
Product Name:	N-Ethyl-4-hydroxy-N-methyltryptamine
CAS:	77872-41-4
Synonyms:	3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-ol; 3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-ol

Technical Data

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Computed Properties

IUPAC Name:	3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-ol
Description:	N-Ethyl-4-hydroxy-N-methyltryptamine (CAS# 77872-41-4) is a hallucinogenic tryptamine.
Molecular Weight:	218.29
Molecular Formula:	C13H18N2O
Canonical SMILES:	CCN(C)CCC1=CNC2=C1C(=CC=C2)O
InChI:	InChI=1S/C13H18N2O/c1-3-15(2)8-7-10-9-14-11-5-4-6-12(16)13(10)11/h4-6,9,14,16H,3,7-8H2,1-2H3
InChI Key:	ORWQBKPSGDRPPA-UHFFFAOYSA-N
Boiling Point:	403.051 °C at 760 mmHg
Density:	1.15 g/cm³
LogP:	2.36770

Publication Number	Title	Priority Date
WO-2021159213-A1	Method for producing an extract of mushroom and mushroom extract made therefrom	20200212
WO-2021108911-A1	Use of psilocin, psilocybin or analogs thereof in weight loss, treatment of obesity and compulsive eating disorder	20191204
US-2021145851-A1	Tryptamine compositions for enhancing neurite outgrowth	20191119
WO-2021101926-A1	Tryptamine compositions for enhancing neurite outgrowth	20191119
DE-102019117739-A1	Arylalkylamine, pyrrole, indole, and opiate derivative concentration methods and test kits using this method	20190701

PMID	Publication Date	Title	Journal
31706004	20200201	Cardiotoxic effects of [3-[2-(diethylamino)ethyl]-1H-indol-4-yl] acetate and 3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-ol	Toxicology letters

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Related Functional Groups

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[171780-79-3]
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[84639-06-5]
Ethyl 7-(benzyloxy)-1H-indole-2-carboxylate
[6960-46-9]
Ethyl 7-nitroindole-2-carboxylate

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Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.141913202
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	218.141913202
Rotatable Bond Count:	4
Topological Polar Surface Area:	39.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4