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Product No: BQ2088

3-(5-Amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione, 98%

Name: 3-(5-Amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione
Brand: Chempure

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CAS Number

191732-70-4

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About this item

IUPAC name	3-(6-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
canonical smiles	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)N
inchi	InChI=1S/C13H13N3O3/c14-8-1-2-9-7(5-8)6-16(13(9)19)10-3-4-11(17)15-12(10)18/h1-2,5,10H,3-4,6,14H2,(H,15,17,18)
inchi key	WLUIQUZGNPAKRL-UHFFFAOYSA-N
molecular formula	C13H13N3O3
synonyms	191732-70-4 3-(5-amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione C5 Lenalidomide 3-(5-Amino-1-oxo-isoindolin-2-yl)piperidine-2,6-dione 3-(5-amino-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione

Computed Properties

Molecular Weight:	259.26 g/mol
XLogP3:	-0.5
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	1
Exact Mass:	259.09569129 g/mol
Monoisotopic Mass:	259.09569129 g/mol
Topological Polar Surface Area:	92.5 Å²
Heavy Atom Count:	19
Formal Charge:	0
Complexity:	437
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Thalidomide

Pomalidomide

Lenalidomide

3-(1,3-Dihydro-1-oxo-2h-isoindol-2-yl)-2,6-piperidinedione

(-)-Thalidomide

4-Amino-N-methylphthalimide

(+)-Thalidomide

N-Phthaloyl-DL-glutamic anhydride

Glutarimide, 2-(hexahydrophthalimido)-

N-(2-Oxo-3-piperidyl)phthalimide

2-(4-Methylphenyl)-1,3-benzoxazol-5-amine

5-Amino-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione

5-Hydroxythalidomide

S-Pomalidomide

4-Hydroxy thalidomide

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	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
hazard statements	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]

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Documentation

Certificate of Analysis

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	3-(6-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
canonical smiles	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)N
inchi	InChI=1S/C13H13N3O3/c14-8-1-2-9-7(5-8)6-16(13(9)19)10-3-4-11(17)15-12(10)18/h1-2,5,10H,3-4,6,14H2,(H,15,17,18)
inchi key	WLUIQUZGNPAKRL-UHFFFAOYSA-N
molecular formula	C13H13N3O3
synonyms	191732-70-4 3-(5-amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione C5 Lenalidomide 3-(5-Amino-1-oxo-isoindolin-2-yl)piperidine-2,6-dione 3-(5-amino-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione

Computed Properties

Molecular Weight:	259.26 g/mol
XLogP3:	-0.5
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	1
Exact Mass:	259.09569129 g/mol
Monoisotopic Mass:	259.09569129 g/mol
Topological Polar Surface Area:	92.5 Å²
Heavy Atom Count:	19
Formal Charge:	0
Complexity:	437
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Thalidomide

Pomalidomide

Lenalidomide

3-(1,3-Dihydro-1-oxo-2h-isoindol-2-yl)-2,6-piperidinedione

(-)-Thalidomide

4-Amino-N-methylphthalimide

(+)-Thalidomide

N-Phthaloyl-DL-glutamic anhydride

Glutarimide, 2-(hexahydrophthalimido)-

N-(2-Oxo-3-piperidyl)phthalimide

2-(4-Methylphenyl)-1,3-benzoxazol-5-amine

5-Amino-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione

5-Hydroxythalidomide

S-Pomalidomide

4-Hydroxy thalidomide

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	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
hazard statements	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]

Product No: BQ2088

3-(5-Amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione, 98%

Product No: BQ2088

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: BQ2088

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?