2,2,6,6-tetramethylpiperidin-4-yl 2-methylprop-2-enoate

• ChemBase ID: 178473
• Molecular Formular: C13H23NO2
• Molecular Mass: 225.32722
• Monoisotopic Mass: 225.17287898
• SMILES: C1C(CC(NC1(C)C)(C)C)OC(=O)C(=C)C
• Canonical SMILES: CC(=C)C(=O)OC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C13H23NO2/c1-9(2)11(15)16-10-7-12(3,4)14-13(5,6)8-10/h10,14H,1,7-8H2,2-6H3
• InChIKey: UFLXKQBCEYNCDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,6,6-tetramethylpiperidin-4-yl 2-methylprop-2-enoate
• IUPAC Traditional name: 2,2,6,6-tetramethylpiperidin-4-yl 2-methylprop-2-enoate
• Synonyms: 2-Methyl-2-propenoic Acid 2,2,6,6-Tetramethyl-4-piperidinyl Ester; Methacrylic Acid 2,2,6,6-Tetramethyl-4-piperidyl Ester; 2,2,6,6-Tetramethyl-4-piperidinyl 2-methyl-2-propenoate; 4-(Methacryloyloxy)-2,2,6,6-tetramethylpiperidine; ADK Stab LA 87; Fancryl FA 712HM; Mark LA 87; 2,2,6,6-Tetramethyl-4-piperidyl Methacrylate

Database IDs

• CAS Number: 31582-45-3
• PubChem SID: 164234383
• PubChem CID: 9815965

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8864651
• LogD (pH = 7.4): -0.4482576
• Log P: 2.3457868
• Molar Refractivity: 64.688 cm^3
• Polarizability: 25.994251 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: White Waxy Solid
• Melting Point: 59-61°C

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - T304640

It is used as cholesterol-lowering agent.

REFERENCES

• Bauer, D., et al.: Polym Deg. Stab., 48, 259 (1995)
• Nakahara, K., et al.: Chem. Physics Lett., 359, 351 (1995)