4-Aminophthalimide - CAS 3676-85-5

Catalog:	BB043936
Product Name:	4-Aminophthalimide
CAS:	3676-85-5
Synonyms:	1H-Isoindole-1,3(2H)-dione, 5-amino-; 4-Amino-phthalamide; 5-Amino-1H-isoindole-1,3(2H)-dione; 5-amino-1h-isoindole-3(2h)-dione; Isoindole, 1,3(2H)-dione, 5-amino-; Phthalimide, 4-amino-; 5-AMINO PHTHALIMIDE; 5-AMINO-ISOINDOLE-1,3-DIONE

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	5-aminoisoindole-1,3-dione
Description:	4-Aminophthalimide (CAS# 3676-85-5 ) is a useful research chemical.
Molecular Weight:	162.15
Molecular Formula:	C8H6N2O2
Canonical SMILES:	C1=CC2=C(C=C1N)C(=O)NC2=O
InChI:	InChI=1S/C8H6N2O2/c9-4-1-2-5-6(3-4)8(12)10-7(5)11/h1-3H,9H2,(H,10,11,12)
InChI Key:	PXRKCOCTEMYUEG-UHFFFAOYSA-N
Purity:	98.0%
Appearance:	Yellow-brown powder

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	239
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.042927438
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	162.042927438
Rotatable Bond Count:	0
Topological Polar Surface Area:	72.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5