2-[(octadecyloxy)methyl]pyridine

• ChemBase ID: 157499
• Molecular Formular: C24H43NO
• Molecular Mass: 361.60432
• Monoisotopic Mass: 361.334465
• SMILES: CCCCCCCCCCCCCCCCCCOCc1ccccn1
• Canonical SMILES: CCCCCCCCCCCCCCCCCCOCc1ccccn1
• InChI: InChI=1S/C24H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-26-23-24-20-17-18-21-25-24/h17-18,20-21H,2-16,19,22-23H2,1H3
• InChIKey: CIMKFNVBRHPSRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(octadecyloxy)methyl]pyridine
• IUPAC Traditional name: 2-[(octadecyloxy)methyl]pyridine
• Synonyms: 2-(Octadecyloxymethyl)pyridine; Silver ionophore VI; 2-(十八烷基氧甲基)吡啶; 银离子载体 VI

Database IDs

• CAS Number: 1228182-56-6
• MDL Number: MFCD16652580
• PubChem SID: 162251636
• PubChem CID: 57025655

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 8.252535
• LogD (pH = 7.4): 8.260579
• Log P: 8.260682
• Molar Refractivity: 113.2336 cm^3
• Polarizability: 45.1731 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 19
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• 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

Product Information

• Grade: Selectophore™
• Quality: function tested
• Empirical Formula (Hill Notation): C24H43NO

DETAILS

Sigma Aldrich - 19115

General description
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Preparation Note
The membrane for electrode was prepared with 3wt% of this compound 20mol% of K-TCPB , 67.9%Bis(1-butylpentyl)adipate(BBPA) as solvent membrane and 29.1% of PVC.
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH