3-Amino-1H-isoindole - CAS 22780-52-5

Catalog:	BB017743
Product Name:	3-Amino-1H-isoindole
CAS:	22780-52-5
Synonyms:	3H-isoindol-1-amine; 3H-isoindol-1-amine

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Computed Properties

IUPAC Name:	3H-isoindol-1-amine
Description:	3-Amino-1H-isoindole (CAS# 22780-52-5) is a useful research chemical.
Molecular Weight:	132.16
Molecular Formula:	C8H8N2
Canonical SMILES:	C1C2=CC=CC=C2C(=N1)N
InChI:	InChI=1S/C8H8N2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2,(H2,9,10)
InChI Key:	MTKKGHVQPVOXIL-UHFFFAOYSA-N
LogP:	1.54370

Publication Number	Title	Priority Date
WO-2021122574-A1	Uv-led radically curable offset printing inks and printing processes	20191218
WO-2021018771-A1	Radiation curable intaglio inks	20190730
WO-2021003117-A1	Molded articles having decorative effect, and methods for preparing the molded articles	20190702
WO-2020218262-A1	Coloring composition containing isoindoline compound and use of same	20190422
US-2021087305-A1	Metal complex comprising amidine and thiophene fused cyclopentadienyl ligands	20171225

PMID	Publication Date	Title	Journal
21972967	20111124	A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes	Journal of medicinal chemistry
19082059	20081121	Synthesis of palladacycles employing iminoisoindolines as monoanionic bidentate ligands	Dalton transactions (Cambridge, England : 2003)
21202770	20080613	Bis[2-phenyl-1-(phenyl-iminio)isoindo-line] di-μ-chlorido-bis-[dichloridopalladate(II)] benzene disolvate	Acta crystallographica. Section E, Structure reports online
16342991	20051220	Inhibitive properties and surface morphology of a group of heterocyclic diazoles as inhibitors for acidic iron corrosion	Langmuir : the ACS journal of surfaces and colloids

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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:	163
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	132.068748264
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4