ol

• ChemBase ID: 141559
• Molecular Formular: C9H14NO
• Molecular Mass: 152.21356
• Monoisotopic Mass: 152.10753907
• SMILES: C1[C@H]2C[C@@H]3N([C@H](C2)C[C@H]1C3)[O]
• Canonical SMILES: [O]N1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3
• InChI: InChI=1S/C9H14NO/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2/t6-,7+,8-,9+
• InChIKey: BCJCJALHNXSXKE-SPJNRGJMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ol
• IUPAC Traditional name: tyrosine(.)
• Synonyms: AZADO; 2-Azaadamantane-N-oxyl; 2-氮杂金刚烷-N-氧自由基

Database IDs

• CAS Number: 57625-08-8
• MDL Number: MFCD11656077
• PubChem SID: 162235793
• PubChem CID: 42643072

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.99526453
• LogD (pH = 7.4): 0.9962565
• Log P: 0.99626917
• Molar Refractivity: 41.6547 cm^3
• Polarizability: 16.839916 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182-189 °C (D)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C9H14NO

DETAILS

Sigma Aldrich - 701718

Frequently Asked Questions
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Packaging
50, 250 mg in glass bottle