4-Aminoindole - CAS 5192-23-4

Catalog:	BB027650
Product Name:	4-Aminoindole
CAS:	5192-23-4
Synonyms:	Indole, 4-amino-; (1H-Indol-4-yl)amine; 4-Amino-1H-indole

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

Related CAS:	174854-93-4 (monohydrochloride)
IUPAC Name:	1H-indol-4-amine
Molecular Weight:	132.16
Molecular Formula:	C8H8N2
Canonical SMILES:	C1=CC2=C(C=CN2)C(=C1)N
InChI:	InChI=1S/C8H8N2/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H,9H2
InChI Key:	LUNUNJFSHKSXGQ-UHFFFAOYSA-N
Boiling Point:	354.0±15.0°C at 760 mmHg
Melting Point:	106-109°C
Purity:	≥95%
Density:	1.268±0.06 g/cm3
Appearance:	White to Gray to Brown Powder to Crystal
Storage:	Store at RT
MDL:	MFCD01076559
LogP:	2.33130

Publication Number	Title	Priority Date
CN-113512422-A	Ultraviolet broad-spectrum absorption carbon quantum dot	20210610
JP-2021006572-A	Aminonaphthoquinone compounds, and pharmaceutical compositions for blocking the ubiquitination-proteasome system in disease	20201005
CN-111704714-A	Benzo five-membered and six-membered ring (thio) urea catalyst and application thereof in ring-opening polymerization	20200701
WO-2021202977-A1	Pyrrolopyrimidine amines as complement inhibitors	20200403
US-2021301175-A1	Polishing composition	20200330

PMID	Publication Date	Title	Journal
19345579	20090501	Synthesis and PKCtheta inhibitory activity of a series of 4-indolylamino-5-phenyl-3-pyridinecarbonitriles	Bioorganic & medicinal chemistry letters
15962942	20050601	Prediction of genotoxicity of chemical compounds by statistical learning methods	Chemical research in toxicology

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Related Functional Groups

Amines and Anilines

[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[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
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride

Indoles

[116952-58-0]
2-Ethoxycarbonyl-5-methoxytryptamine
[2642-37-7]
Indoxyl sulfate potassium salt
[119910-45-1]
2-bromo-1H-indole-3-carbaldehyde
[53995-78-1]
Ethyl 5,6-dichloro-1H-indole-2-carboxylate
[467458-46-4]
Ethyl 3-formyl-1H-indole-5-carboxylate
[927181-98-4]
Ethyl 3-formyl-1H-indole-7-carboxylate

GHS Hazard Statement:	H302 (19.15%): 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:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.068748264
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	132.068748264
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1