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5-Aminothalidomide

CAT: 0127-BUP17983-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-BUP17983-02Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
191732-76-0
Purity
=98%
Smiles
O=C1N(C(=O)C=2C1=CC(N)=CC2)C3C(=O)NC(=O)CC3

Chemical Information

1,3-Dioxo-2-(2,6-dioxopiperidin-3-yl)-5-aminoisoindoline
CAS Number191732-76-0
PubChem CID9816958
IUPAC Name5-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC13H11N3O4
Molecular Weight273.24
XLogP-0.4
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity504
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)
InChIKey
IICWMVJMJVXCLY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dioxo-2-(2,6-dioxopiperidin-3-yl)-5-aminoisoindoline
CAS: 191732-76-0
CID: 9816958
Formula: C13H11N3O4
MW: 273.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.24
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass273.07495584
Monoisotopic Mass273.07495584
Topological Polar Surface Area110 Ų
Heavy Atom Count20
Formal Charge0
Complexity504
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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