ol

• ChemBase ID: 146979
• Molecular Formular: C9H16NO2
• Molecular Mass: 170.22884
• Monoisotopic Mass: 170.11810376
• SMILES: C1C(=O)CC(N(C1(C)C)[O])(C)C
• Canonical SMILES: [O]N1C(C)(C)CC(=O)CC1(C)C
• InChI: InChI=1S/C9H16NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h5-6H2,1-4H3
• InChIKey: WSGDRFHJFJRSFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ol
• IUPAC Traditional name: tyrosine(.)
• Synonyms: 4-Oxo-,2,2,6,6-tetramethylpiperidine-d16-1-oxyl; TEMPONE-d16; 4-Oxo-TEMPO-d16, free radical; 4-氧-,2,2,6,6-四甲基哌啶-d16-1-氧自由基; 氮氧自由基哌啶酮-d16; 4-羰基-TEMPO-d16，自由基

Database IDs

• CAS Number: 36763-53-8
• MDL Number: MFCD01075420
• PubChem SID: 24872049; 162241171
• PubChem CID: 16213282

CALCULATED PROPERTIES

• Acid pKa: 19.387045
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8875258
• LogD (pH = 7.4): 0.8875258
• Log P: 0.8875258
• Molar Refractivity: 45.9257 cm^3
• Polarizability: 18.378075 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 35 °C(lit.)
• Mass Shift: M+16

Safety Information

• German water hazard class: 3
• GHS Pictograms: GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H400
• GHS Precautionary statements: P273

Product Information

• Grade: for ESR-spectroscopy
• Isotopic Purity: 97 atom % D
• Mol. Weight: mol wt 185.85 by atom % calculation
• Empirical Formula (Hill Notation): C9D16NO2

DETAILS

Sigma Aldrich - 485268

Packaging
500 mg in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.