5-Aminoisoindolin-1-one - CAS 222036-66-0

Catalog:	BB017450
Product Name:	5-Aminoisoindolin-1-one
CAS:	222036-66-0
Synonyms:	5-amino-2,3-dihydroisoindol-1-one; 5-amino-2,3-dihydroisoindol-1-one

Technical Data

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Computed Properties

IUPAC Name:	5-amino-2,3-dihydroisoindol-1-one
Description:	5-Aminoisoindolin-1-one (CAS# 222036-66-0) is used in the synthesis of a novel potent glycoprotein IIb-IIIa (GP IIb-IIIa) receptor antagonist based on the isoindolone skeleton.
Molecular Weight:	148.16
Molecular Formula:	C8H8N2O
Canonical SMILES:	C1C2=C(C=CC(=C2)N)C(=O)N1
InChI:	InChI=1S/C8H8N2O/c9-6-1-2-7-5(3-6)4-10-8(7)11/h1-3H,4,9H2,(H,10,11)
InChI Key:	RGJCJWXNNDARPQ-UHFFFAOYSA-N
Boiling Point:	520.034 °C at 760 mmHg
Density:	1.307 g/cm³
MDL:	MFCD10000828
LogP:	1.42220

Publication Number	Title	Priority Date
WO-2021110076-A1	Oxamide derivatives, preparation method therefor and use thereof in medicine	20191204
WO-2021041866-A1	Small molecule agonists of mucolipin 1 and uses thereof	20190830
WO-2020054644-A1	Permanent film-forming photosensitive resin composition, cured film, electronic device, cured film production method, and electronic device manufacturing method	20180911
UY-38296-A	DERIVATIVES OF 3â€" (5 â€" AMINO â€" 1 â€" OXOISOINDOLIN â€" 2 â€" IL) PIPERIDIN â€" 2,6 â€" DIONA AND ITS USES	20180710
WO-2019243550-A1	Thiophene derivatives for the treatment of disorders caused by ige	20180621

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GHS Hazard Statement:	H302+H332 (100%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.063662883
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	148.063662883
Rotatable Bond Count:	0
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1