ol

• ChemBase ID: 143557
• Molecular Formular: C13H22NO3
• Molecular Mass: 240.31868
• Monoisotopic Mass: 240.15996857
• SMILES: CC(=C)C(=O)OC1CC(N(C(C1)(C)C)[O])(C)C
• Canonical SMILES: [O]N1C(C)(C)CC(CC1(C)C)OC(=O)C(=C)C
• InChI: InChI=1S/C13H22NO3/c1-9(2)11(15)17-10-7-12(3,4)14(16)13(5,6)8-10/h10H,1,7-8H2,2-6H3
• InChIKey: BTWSPOZXDCFMLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ol
• IUPAC Traditional name: tyrosine(.)
• Synonyms: 4-Methacryloyloxy-2,2,6,6-tetramethylpiperidine-1-oxyl; PTMA monomer; TEMPO methacrylate; 4-氰基苯二硫代碳酸－1－氰基－1－甲基乙基酯; PTMA 单体; TEMPO甲基丙烯酸甲酯

Database IDs

• CAS Number: 15051-46-4
• MDL Number: MFCD17677357
• PubChem SID: 162237775
• PubChem CID: 9859588

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0489244
• LogD (pH = 7.4): 2.0489244
• Log P: 2.0489244
• Molar Refractivity: 65.3309 cm^3
• Polarizability: 26.193756 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 86-90 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 43
• Safety Statements: 36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H317
• GHS Precautionary statements: P280
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C13H22NO3

DETAILS

Sigma Aldrich - 730297

Application
Stable nitroxide radical useful in controlling living radical polymerizations, with a methacrylate functionality for cross-linking or orthogonal polymerization.
Packaging
1 g in glass bottle