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N-Methylphthalimide

CAT: 0013-GTR19202358-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19202358-03Size:1 g
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Description
N-Methylphthalimide is a small molecule inhibitor of acetyl-CoA synthetase (Acs) . This compound is utilized in biochemical research to study acetyl-CoA metabolism and enzyme function in both in vitro assays and cellular models.
CAS Number
550-44-7
Product Name Alternative
NSC 44059, N Methylphthalimide, NMethylphthalimide, N-Methylphthalimide, NSC44059, NSC-44059, 2-methyl-isoindole-1,3-dione
Purity
99.95% (May vary between batches)
Solubility
DMSO:Soluble
Smiles
O=C1C=2C=CC=CC2C (=O) N1C
Molecular Formula
C9H7NO2
Molecular Weight
161.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-Methylphthalimide
CAS Number550-44-7
PubChem CID11074
IUPAC Name2-methylisoindole-1,3-dione
Molecular FormulaC9H7NO2
Molecular Weight161.16
XLogP1.3
Topological Polar Surface Area37.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity213
SMILES
CN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C9H7NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3
InChIKey
ZXLYYQUMYFHCLQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Methylphthalimide
CAS: 550-44-7
CID: 11074
Formula: C9H7NO2
MW: 161.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight161.16
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass161.047678466
Monoisotopic Mass161.047678466
Topological Polar Surface Area37.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity213
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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