3-Amino-1H-indole Hydrochloride - CAS 57778-93-5

Catalog:	BB029821
Product Name:	3-Amino-1H-indole Hydrochloride
CAS:	57778-93-5
Synonyms:	1H-indol-3-amine;hydrochloride; 1H-indol-3-amine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	1H-indol-3-amine;hydrochloride
Description:	3-Amino-1H-indole Hydrochloride (CAS# 57778-93-5) is a useful research chemical with analgesic properties found to have broad applications such as anticancer agents and diabetes prevention.
Molecular Weight:	168.62
Molecular Formula:	C8H9ClN2
Canonical SMILES:	C1=CC=C2C(=C1)C(=CN2)N.Cl
InChI:	InChI=1S/C8H8N2.ClH/c9-7-5-10-8-4-2-1-3-6(7)8;/h1-5,10H,9H2;1H
InChI Key:	NAJOKFIOBSENCX-UHFFFAOYSA-N
Boiling Point:	372.4 °C at 760 mmHg
LogP:	3.13330

Publication Number	Title	Priority Date
CN-113382772-A	Compounds and compositions for treating diseases associated with STING activity	20181119
JP-2020523315-A	Azaindole compounds as histone methyltransferase inhibitors	20170609
TW-201321380-A	Tricyclic heterocyclic compounds and JAK (Jenas kinase) inhibitors	20110812
TW-I601727-B	Tricyclic heterocyclic compounds and JAK (Jenas kinase) inhibitors	20110812
TW-201427965-A	Novel intermediates for the preparation of 6-substituted phenoxyanthracenecarboxylic acid derivatives	20080625

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Related Functional Groups

Indoles

[119910-45-1]
2-bromo-1H-indole-3-carbaldehyde
[53995-78-1]
Ethyl 5,6-dichloro-1H-indole-2-carboxylate
[365547-91-7]
Ethyl 2-amino-5-chloro-1H-indole-3-carboxylate
[1375064-65-5]
Ethyl 3-Bromo-5-chloroindole-1-carboxylate
[1375064-48-4]
Ethyl 3-Bromo-5-fluoroindole-1-carboxylate
[20538-12-9]
Ethyl 7-methoxy-1H-indole-2-carboxylate

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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:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.0454260
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	168.0454260
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0