5-Hydroxyindole - CAS 1953-54-4

Catalog:	BB015125
Product Name:	5-Hydroxyindole
CAS:	1953-54-4
Synonyms:	Indol-5-ol; 5-Hydroxy-1H-indole; NSC 87503

Technical Data

Safety and Hazards

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Literatures

Computed Properties

IUPAC Name:	1H-indol-5-ol
Molecular Weight:	133.15
Molecular Formula:	C8H7NO
Canonical SMILES:	C1=CC2=C(C=CN2)C=C1O
InChI:	InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H
InChI Key:	LMIQERWZRIFWNZ-UHFFFAOYSA-N
Boiling Point:	343.2±15.0°C at 760 mmHg
Melting Point:	107-108°C
Purity:	≥95%
Density:	1.327±0.06 g/cm3
Solubility:	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance:	Brown Solid
Storage:	Store at 2-8°C
MDL:	MFCD00005677
LogP:	1.87350

Publication Number	Title	Priority Date
CN-113325107-A	Method for high-efficiency qualitative and quantitative analysis of plant metabolic modification group by using LC-MS/MS	20210601
CN-113372334-A	2- (4-methionyl) anilino-4-amino-5-trifluoromethylpyrimidine derivatives and application thereof	20210525
CN-112300049-A	Preparation method of 5-hydroxytryptamine hydrochloride	20201102
CN-112136726-A	Method for detecting anxiety relieving effect of health food	20200828
CN-111518357-A	High-gloss impact-resistant transparent modified polypropylene and preparation method and application thereof	20200528

PMID	Publication Date	Title	Journal
23088910	20121201	Synthesis and structure based optimization of 2-(4-phenoxybenzoyl)-5-hydroxyindole as a novel CaMKII inhibitor	Bioorganic & medicinal chemistry
22608033	20120801	On the generation and quenching of reactive-oxygen-species by aqueous vitamin B2 and serotonin under visible-light irradiation	Journal of photochemistry and photobiology. B, Biology
22425693	20120601	5-HIAA excretion is not associated with bone metabolism in carcinoid syndrome patients	Bone
22425563	20120415	Prospective acetylcholinesterase inhibitory activity of indole and its analogs	Bioorganic & medicinal chemistry letters
22429462	20120415	In vitro bioactivation of bazedoxifene and 2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol in human liver microsomes	Chemico-biological interactions

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Related Functional Groups

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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:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	133.052763847
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	133.052763847
Rotatable Bond Count:	0
Topological Polar Surface Area:	36 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2