2-butylpyridine

• ChemBase ID: 180030
• Molecular Formular: C9H13N
• Molecular Mass: 135.20622
• Monoisotopic Mass: 135.10479942
• SMILES: c1(ccccn1)CCCC
• Canonical SMILES: CCCCc1ccccn1
• InChI: InChI=1S/C9H13N/c1-2-3-6-9-7-4-5-8-10-9/h4-5,7-8H,2-3,6H2,1H3
• InChIKey: ADSOSINJPNKUJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butylpyridine
• IUPAC Traditional name: pyridine, 2-butyl-
• Synonyms: 2-Butylpyridine

Database IDs

• CAS Number: 5058-19-5
• PubChem SID: 164235940
• PubChem CID: 78750

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1436465
• LogD (pH = 7.4): 2.4700894
• Log P: 2.4766166
• Molar Refractivity: 42.3215 cm^3
• Polarizability: 16.748783 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 99%