3-hexylpyridine

• ChemBase ID: 295738
• Molecular Formular: C11H17N
• Molecular Mass: 163.25938
• Monoisotopic Mass: 163.13609955
• SMILES: CCCCCCc1cccnc1
• Canonical SMILES: CCCCCCc1cccnc1
• InChI: InChI=1S/C11H17N/c1-2-3-4-5-7-11-8-6-9-12-10-11/h6,8-10H,2-5,7H2,1H3
• InChIKey: LWEQIZSFZFUWIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hexylpyridine
• IUPAC Traditional name: 3-hexylpyridine
• Synonyms: 3-n-Hexylpyridine; 3-正-己基吡啶

Database IDs

• CAS Number: 6311-92-8
• MDL Number: MFCD02683071
• PubChem SID: 180681269
• PubChem CID: 22766

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.20844
• LogD (pH = 7.4): 3.4862523
• Log P: 3.4918382
• Molar Refractivity: 51.9473 cm^3
• Polarizability: 20.44212 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98+%