3-(2-aminoethyl)-1H-indol-6-ol - CAS 443-31-2

Catalog:	BB054909
Product Name:	3-(2-aminoethyl)-1H-indol-6-ol
CAS:	443-31-2
Synonyms:	6-Hydroxytryptamine; 3-(2-aminoethyl)-1H-indol-6-ol; 3-(2-Amino-ethyl)-1H-indol-6-ol

Technical Data

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Computed Properties

IUPAC Name:	3-(2-aminoethyl)-1H-indol-6-ol
Molecular Weight:	176.21
Molecular Formula:	C10H12N2O
Canonical SMILES:	C1=CC2=C(C=C1O)NC=C2CCN
InChI:	InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-5-8(13)1-2-9(7)10/h1-2,5-6,12-13H,3-4,11H2
InChI Key:	WZTKTNRVJAMKAS-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2022047580-A1	Hydroxylated psilocybin derivatives and methods of using	20200901
TW-202132301-A	Novel functionalized lactams as modulators of the 5-hydroxytryptamine receptor 7 and their method of use	20191113
TW-202132308-A	Novel functionalized lactones as modulators of the 5-hydroxytryptamine receptor 7 and their method of use	20191113
TW-202016072-A	Novel functionalized amides as modulators of 5-hydroxytryptamine receptor 7 and methods of use	20180511
KR-20210020182-A	Novel functionalized lactams as modulators of 5-hydroxytryptamine receptor 7 and methods of use thereof	20180511
JP-2021523179-A	A novel functionalized lactam as a regulator of 5-hydroxytryptamine receptor 7 and how to use it	20180511
WO-2019062662-A1	SUBSTITUTED PYRIMIDINE PIPERAZINE COMPOUND AND USE THEREOF	20170929
EP-3687989-A1	Substituted pyrimidine piperazine compound and use thereof	20170929
JP-2020535205-A	Substituted pyrimidine piperazine compounds and their use	20170929
KR-20200022517-A	Fluoropiperidine Compounds as Pure 5-HT6 Receptor Antagonists	20170807

PMID	Publication Date	Title	Journal
21048351	20101101	N-(3,5-dihydroxybenzoyl)-6-hydroxytryptamine as a novel human tyrosinase inhibitor that inactivates the enzyme in cooperation with l-3,4-dihydroxyphenylalanine	Chemical & pharmaceutical bulletin
21358970	20100901	Neurotoxins: free radical mechanisms and melatonin protection	Current neuropharmacology

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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:	176.094963011
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	176.094963011
Rotatable Bond Count:	2
Topological Polar Surface Area:	62Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2