ol

• ChemBase ID: 146693
• Molecular Formular: C13H19N2O3
• Molecular Mass: 251.30156
• Monoisotopic Mass: 251.13956748
• SMILES: CC1(CC(CC(N1[O])(C)C)N1C(=O)C=CC1=O)C
• Canonical SMILES: [O]N1C(C)(C)CC(CC1(C)C)N1C(=O)C=CC1=O
• InChI: InChI=1S/C13H19N2O3/c1-12(2)7-9(8-13(3,4)15(12)18)14-10(16)5-6-11(14)17/h5-6,9H,7-8H2,1-4H3
• InChIKey: CMNDHIFMYRPBGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ol
• IUPAC Traditional name: tyrosine(.)
• Synonyms: 4-Maleimido-2,2,6,6-tetramethyl-1-piperidinyloxy, free radical; 4-Maleimido-TEMPO; 4-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-2,2,6,6-tetramethyl-1-piperidinyloxy; 4-Maleimido-2,2,6,6-tetramethylpiperidinooxy; 4-Maleimido-TEMPO; 4-N-Maleimido-2,2,6,6-tetramethylpiperidine Nitroxide; A 25335-9; MAL 6; Oxytetramethyl Piperidinyl Maleimide; Tempo-maleimide; N-(1-Oxyl-2,2,6,6-tetramethyl-4-piperidinyl)maleimide; 4-马来酰亚胺-2,2,6,6-四甲基-1-哌啶氧基自由基; 4-马来酰亚胺-四甲基哌啶氧化物

Database IDs

• CAS Number: 15178-63-9
• MDL Number: MFCD00010110
• PubChem SID: 162240885; 24855307
• PubChem CID: 2724304

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.3289723
• LogD (pH = 7.4): 0.3289723
• Log P: 0.3289723
• Molar Refractivity: 67.1614 cm^3
• Polarizability: 26.007677 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; DMSO
• Apperance: Redish-Orange Solid
• Melting Point: 91-94 °C(lit.); 91-94°C

Safety Information

• Storage Condition: -20°C Freezer, Under Inert Atmosphere
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Grade: for ESR-spectroscopy
• Description: free radical
• Empirical Formula (Hill Notation): C13H20N2O3

DETAILS

Sigma Aldrich - 253359

Biochem/physiol Actions
Spin label used to study fluidity of brain synaptosomal membranes, internal microviscosity of erythrocytes, and human high density lipoproteins.
Packaging
10, 25 mg in glass bottle

Toronto Research Chemicals - O873800

A thiol specific spin label.

REFERENCES

• Seelig, B., et al.: Chem. Biol., 6, 167 (1999)