2-(2-propoxyethyl)pyridine

• ChemBase ID: 137726
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: CCCOCCc1ccccn1
• Canonical SMILES: CCCOCCc1ccccn1
• InChI: InChI=1S/C10H15NO/c1-2-8-12-9-6-10-5-3-4-7-11-10/h3-5,7H,2,6,8-9H2,1H3
• InChIKey: ZLJMIUFTLBIOEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-propoxyethyl)pyridine
• IUPAC Traditional name: 2-(2-propoxyethyl)pyridine
• Synonyms: 2-(2-Propoxyethyl)pyridine; 2-(2-丙氧基乙基)吡啶

Database IDs

• CAS Number: 70644-45-0
• MDL Number: MFCD00006363
• PubChem SID: 162231987
• PubChem CID: 112444

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6388634
• LogD (pH = 7.4): 1.8261082
• Log P: 1.8291651
• Molar Refractivity: 48.918 cm^3
• Polarizability: 19.25432 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C10H15NO