4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]piperidine-2,6-dione

• ChemBase ID: 105801
• Molecular Formular: C15H23NO4
• Molecular Mass: 281.34742
• Monoisotopic Mass: 281.16270822
• SMILES: CC1CC(C)C(=O)C(C1)C(O)CC1CC(=O)NC(=O)C1
• Canonical SMILES: CC1CC(C)C(=O)C(C1)C(CC1CC(=O)NC(=O)C1)O
• InChI: InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)
• InChIKey: YPHMISFOHDHNIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]piperidine-2,6-dione
• IUPAC Traditional name: 4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]piperidine-2,6-dione
• Synonyms: Acti-Dione; CYCLOHEXIMIDE

Database IDs

• CAS Number: 66-81-9
• EC Number: 200-636-0
• PubChem SID: 162093859
• PubChem CID: 2900

CALCULATED PROPERTIES

• Acid pKa: 11.799869
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.90476495
• LogD (pH = 7.4): 0.904748
• Log P: 0.9047651
• Molar Refractivity: 73.0893 cm^3
• Polarizability: 28.922503 Å^3
• Polar Surface Area: 83.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119.5-121 °C

Safety Information

• Storage Condition: 2-8°C
• RTECS: MA4375000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 2811
• Hazard Class: 6.1
• Packing Group: I
• Australian Hazchem: 2XE
• Risk Statements: R:28-40-51/53-61
• Safety Statements: S:45-53-61
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154

DETAILS

MP Biomedicals - 02194527

Cell Culture Reagent
Crystalline
Inhibits peptide synthesis