4-Phthalimidocyclohexanone

Details:

1. Introduction of 4-Phthalimidocyclohexanone

4-Phthalimidocyclohexanone (CAS NO.104618-32-8) is a similar white to white powder. Our 4-Phthalimidocyclohexanone is NLT 98.0%(HPLC) and can be manufactured 5 metric ton per year. Besides, it is in stock and can be deliveried from beijing. And we can accept the payment from L/C or T/T.

Other specification:

Appearance: Similar white to white powder

Loss on drying: NMT 0.5%
Residue on ignition: NMT 0.5%
Assay: NLT 98.0%(HPLC)

Synonyms: 2-(4-Oxocyclohexyl)-1H-isoindole-1,3(2H)-dione; 4-(phthalimide)-cyclohexanone
Fomular: C₁₄H₁₃NO₃
M.W.: 243.26
Feature: Similar white to white powder, 222-224°C

Packaging: 25KG/NET Fiber Drum with double lined plastic bag inside



Packaging Details: Fiber Drum Size: diameter 350mm x height 500mm,tare weight: 2.8-2.9kg PE bag: width 600mm x height 900mm xthickness 0.06mm

2. Basic information of 4-Phthalimidocyclohexanone

1) Properties:

(1)XLogP3: 1.5; (2)H-Bond Acceptor: 3; (3)Rotatable Bond Count: 1; (4)Tautomer Count: 2; (5)Exact Mass: 243.089543; (6)MonoIsotopic Mass: 243.089543; (7)Topological Polar Surface Area: 54.4; (8)Heavy Atom Count: 18; (9)Complexity: 370; (10)Covalently-Bonded Unit Count: 1; (11)Feature 3D Acceptor Count: 3; (12)Feature 3D Ring Count: 3; (13)Effective Rotor Count: 2.2; (14)Conformer Sampling RMSD: 0.6; (15)CID Conformer Count: 3; (16)Density: 1.357.

2) Descriptors of Structure

IUPAC Name: 2-(4-oxocyclohexyl)isoindole-1,3-dione
InChI: InChI=1S/C14H13NO3/c16-10-7-5-9(6-8-10)15-13(17)11-3-1-2-4-12(11)14(15)18/h1-4,9H,5-8H2
InChIKey: PWUJQPNLEZZILN-UHFFFAOYSA-N
Canonical SMILES : C1CC(=O)CCC1N2C(=O)C3=CC=CC=C3C2=O