4-(Indol-1-yl)aniline hydrochloride - CAS 1431963-41-5

Catalog:	BB048889
Product Name:	4-(Indol-1-yl)aniline hydrochloride
CAS:	1431963-41-5
Synonyms:	4-(1H-Indol-1-yl)aniline hydrochloride; Benzenamine, 4-(1H-indol-1-yl)-, hydrochloride (1:1)

Technical Data

Safety and Hazards

Computed Properties

Related CAS:	938018-12-3 (free base)
IUPAC Name:	4-indol-1-ylaniline;hydrochloride
Description:	4-(Indol-1-yl)aniline hydrochloride (CAS# 1431963-41-5 ) is a useful research chemical.
Molecular Weight:	244.72
Molecular Formula:	C14H13ClN2
Canonical SMILES:	C1=CC=C2C(=C1)C=CN2C3=CC=C(C=C3)N.Cl
InChI:	InChI=1S/C14H12N2.ClH/c15-12-5-7-13(8-6-12)16-10-9-11-3-1-2-4-14(11)16;/h1-10H,15H2;1H
InChI Key:	LVGDFUPLIFKNGK-UHFFFAOYSA-N
Purity:	≥ 95 %

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Related Functional Groups

Amines and Anilines

[556-90-1]
Pseudothiohydantoin
[1232060-85-3]
(3R,4R)-4-Amino-3-methoxytetrahydropyran
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[1597-32-6]
2-Amino-6-fluoropyridine

Indoles

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1375064-43-9]
Ethyl 3-Bromo-7-methylindole-1-carboxylate
[1375064-59-7]
Ethyl 3-Bromoindole-1-carboxylate
[37033-95-7]
Ethyl 5-(benzyloxy)-1H-indole-2-carboxylate
[6960-46-9]
Ethyl 7-nitroindole-2-carboxylate
[32996-16-0]
Ethyl indole-5-carboxylate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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:	233
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	244.0767261
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	244.0767261
Rotatable Bond Count:	1
Topological Polar Surface Area:	31
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0