ol

• ChemBase ID: 136641
• Molecular Formular: C10H16NO
• Molecular Mass: 166.24014
• Monoisotopic Mass: 166.12318914
• SMILES: CC12CC3CC(C1)CC(C3)N2[O]
• Canonical SMILES: [O]N1C2CC3CC1(C)CC(C2)C3
• InChI: InChI=1S/C10H16NO/c1-10-5-7-2-8(6-10)4-9(3-7)11(10)12/h7-9H,2-6H2,1H3
• InChIKey: IBNXYCCLPCGKDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ol
• IUPAC Traditional name: tyrosine(.)
• Synonyms: 1-Me-AZADO; 1-Methyl-2-azaadamantane-N-oxyl

Database IDs

• CAS Number: 872598-44-2
• PubChem SID: 162230911
• PubChem CID: 11579186

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.276284
• LogD (pH = 7.4): 1.2768388
• Log P: 1.2768458
• Molar Refractivity: 46.2929 cm^3
• Polarizability: 18.68036 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 87-93 °C

Safety Information

• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C10H16NO

DETAILS

Sigma Aldrich - 738883

包装
25, 100 mg in glass bottle