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N- (4-Bromobutyl) phthalimide

CAT: 0013-GTR19241673-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241673-01Size:10 mg
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Description
N- (4-Bromobutyl) phthalimide is a key alkylating agent used in organic synthesis, particularly for constructing imidazo[4,5-b]pyridine derivatives and as a building block for calixarene-based ligands. Its applications span medicinal chemistry research, facilitating the development of novel compounds for in vitro biochemical studies.
CAS Number
5394-18-3
Smiles
O=C1C=2C=CC=CC2C (=O) N1CCCCBr
Molecular Formula
C12H12BrNO2
Molecular Weight
282.13
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(4-Bromobutyl)phthalimide
CAS Number5394-18-3
PubChem CID93575
IUPAC Name2-(4-bromobutyl)isoindole-1,3-dione
Molecular FormulaC12H12BrNO2
Molecular Weight282.13
XLogP3
Topological Polar Surface Area37.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity269
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCBr
InChI
InChI=1S/C12H12BrNO2/c13-7-3-4-8-14-11(15)9-5-1-2-6-10(9)12(14)16/h1-2,5-6H,3-4,7-8H2
InChIKey
UXFWTIGUWHJKDD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-Bromobutyl)phthalimide
CAS: 5394-18-3
CID: 93575
Formula: C12H12BrNO2
MW: 282.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.13
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass281.00514
Monoisotopic Mass281.00514
Topological Polar Surface Area37.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity269
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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