2-hexylpyridine

• ChemBase ID: 295261
• Molecular Formular: C11H17N
• Molecular Mass: 163.25938
• Monoisotopic Mass: 163.13609955
• SMILES: CCCCCCc1ccccn1
• Canonical SMILES: CCCCCCc1ccccn1
• InChI: InChI=1S/C11H17N/c1-2-3-4-5-8-11-9-6-7-10-12-11/h6-7,9-10H,2-5,8H2,1H3
• InChIKey: NZLJDTKLZIMONR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hexylpyridine
• IUPAC Traditional name: pyridine, 2-hexyl-
• Synonyms: 2-n-Hexylpyridine; 2-正己基吡啶

Database IDs

• CAS Number: 1129-69-7
• EC Number: 214-454-4
• MDL Number: MFCD00023552
• PubChem SID: 180680792
• PubChem CID: 70797

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0328465
• LogD (pH = 7.4): 3.3592286
• Log P: 3.3657541
• Molar Refractivity: 51.5235 cm^3
• Polarizability: 20.44257 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: UT4245000
• 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%