3-butoxy-2-ethoxypyridine

• ChemBase ID: 290517
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: CCOc1ncccc1OCCCC
• Canonical SMILES: CCCCOc1cccnc1OCC
• InChI: InChI=1S/C11H17NO2/c1-3-5-9-14-10-7-6-8-12-11(10)13-4-2/h6-8H,3-5,9H2,1-2H3
• InChIKey: XAALXTHNFITHSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-butoxy-2-ethoxypyridine
• IUPAC Traditional name: 3-butoxy-2-ethoxypyridine
• Synonyms: 3-Butoxy-2-ethoxypyridine

Database IDs

• CAS Number: 1305322-93-3
• PubChem SID: 180676048
• PubChem CID: 54758826

CALCULATED PROPERTIES

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.714645
• LogD (pH = 7.4): 2.715386
• Log P: 2.7153955
• Molar Refractivity: 55.7632 cm^3
• Polarizability: 21.835512 Å^3
• Polar Surface Area: 31.35 Å^2

PROPERTIES

Product Information

• Purity: 95+%