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Product No: BQ2096

5-Amino-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione, 98%

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

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CAS Number

191732-76-0

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About this item

IUPAC name	5-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
canonical smiles	C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)N
inchi	InChI=1S/C13H11N3O4/c14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h1-2,5,9H,3-4,14H2,(H,15,17,18)
inchi key	IICWMVJMJVXCLY-UHFFFAOYSA-N
molecular formula	C13H11N3O4
synonyms	191732-76-0 5-amino-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione 5-Aminothalidomide 5-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 1H-Isoindole-1,3(2H)-dione, 5-amino-2-(2,6-dioxo-3-piperidinyl)-

Computed Properties

Molecular Weight:	273.24 g/mol
XLogP3:	-0.4
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	1
Exact Mass:	273.07495584 g/mol
Monoisotopic Mass:	273.07495584 g/mol
Topological Polar Surface Area:	110 Å²
Heavy Atom Count:	20
Formal Charge:	0
Complexity:	504
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-(2-Oxo-3-piperidyl)phthalimide

N-Phthaloyl-DL-glutamic anhydride

Glutarimide, 2-(hexahydrophthalimido)-

2-(2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione

5-Hydroxythalidomide

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

S-Pomalidomide

4-Hydroxy thalidomide

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (66.67%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (66.67%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (66.67%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (66.67%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (66.67%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Documentation

Certificate of Analysis

Lot Number

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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	5-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
canonical smiles	C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)N
inchi	InChI=1S/C13H11N3O4/c14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h1-2,5,9H,3-4,14H2,(H,15,17,18)
inchi key	IICWMVJMJVXCLY-UHFFFAOYSA-N
molecular formula	C13H11N3O4
synonyms	191732-76-0 5-amino-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione 5-Aminothalidomide 5-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 1H-Isoindole-1,3(2H)-dione, 5-amino-2-(2,6-dioxo-3-piperidinyl)-

Computed Properties

Molecular Weight:	273.24 g/mol
XLogP3:	-0.4
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	1
Exact Mass:	273.07495584 g/mol
Monoisotopic Mass:	273.07495584 g/mol
Topological Polar Surface Area:	110 Å²
Heavy Atom Count:	20
Formal Charge:	0
Complexity:	504
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-(2-Oxo-3-piperidyl)phthalimide

N-Phthaloyl-DL-glutamic anhydride

Glutarimide, 2-(hexahydrophthalimido)-

2-(2,4-dioxo-1H-pyrimidin-5-yl)isoindole-1,3-dione

5-Hydroxythalidomide

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

S-Pomalidomide

4-Hydroxy thalidomide

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (66.67%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (66.67%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (66.67%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (66.67%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (66.67%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: BQ2096

5-Amino-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione, 98%

Product No: BQ2096

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: BQ2096

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?