6-Aminoisoindolin-1-one - CAS 675109-45-2

Name: 6-Aminoisoindolin-1-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB033299
Product Name:	6-Aminoisoindolin-1-one
CAS:	675109-45-2
Synonyms:	6-amino-2,3-dihydroisoindol-1-one; 6-amino-2,3-dihydroisoindol-1-one

Technical Data

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Computed Properties

IUPAC Name:	6-amino-2,3-dihydroisoindol-1-one
Description:	6-Aminoisoindolin-1-one (CAS# 675109-45-2) 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=C(C=C2)N)C(=O)N1
InChI:	InChI=1S/C8H8N2O/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-3H,4,9H2,(H,10,11)
InChI Key:	PGKXYAZNGUURHR-UHFFFAOYSA-N
LogP:	1.42220

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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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