2,2,6,6-tetramethylpiperidin-1-ol

• ChemBase ID: 103731
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: CC1(C)CCCC(C)(C)N1O
• Canonical SMILES: ON1C(C)(C)CCCC1(C)C
• InChI: InChI=1S/C9H19NO/c1-8(2)6-5-7-9(3,4)10(8)11/h11H,5-7H2,1-4H3
• InChIKey: VUZNLSBZRVZGIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,6,6-tetramethylpiperidin-1-ol
• IUPAC Traditional name: 2,2,6,6-tetramethylpiperidoxyl
• Synonyms: 2,2,6,6-tetramethylpiperidin-1-ol; 2,2,6,6-Tetramethylpipridinoxy free radical; TEMPO

Database IDs

• CAS Number: 2564-83-2
• EC Number: 219-888-8
• PubChem SID: 162102934
• PubChem CID: 549976

CALCULATED PROPERTIES

• Acid pKa: 14.742695
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6604367
• LogD (pH = 7.4): 1.6698223
• Log P: 1.6699433
• Molar Refractivity: 46.714 cm^3
• Polarizability: 18.725828 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 36 - 38°C; 36-38°C
• Flash Point: 67.7°C
• Hydrophobicity(logP): 2.001

Safety Information

• Storage Condition: 2-8°C, Store Under Nitrogen
• RTECS: TN8991900
• European Hazard Symbols: Toxic (T)
• UN Number: 2810
• Hazard Class: 6.1
• Packing Group: III
• Australian Hazchem: 2X
• Risk Statements: R:25-36
• Safety Statements: S:28-36/37/39-45-53
• EU Classification: T1
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 153

Product Information

• Purity: 95%