Lenalidomide Impurity 112

CAT: 1299-RM-L141312-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L141312-04Size:100 mg

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CAS Number

191732-70-4

Synonyms

3- (5-amino-1-oxoisoindolin-2-yl) piperidine-2,6-dione

Molecular Formula

C13H13N3O3

Molecular Weight

259.27

Target Alternative Name

Lenalidomide

Product Name Synonym

3- (5-amino-1-oxoisoindolin-2-yl) piperidine-2,6-dione

Chemical Information

3-(5-amino-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione

CAS Number	191732-70-4
PubChem CID	9816615
IUPAC Name	3-(6-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
Molecular Formula	C13H13N3O3
Molecular Weight	259.26
XLogP	-0.5
Topological Polar Surface Area	92.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	19
Formal Charge	0
Complexity	437

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)

InChIKey

WLUIQUZGNPAKRL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 191732-70-4

CID: 9816615

Formula: C13H13N3O3

MW: 259.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	259.26
XLogP3	-0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	259.09569129
Monoisotopic Mass	259.09569129
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