3-ethyl-4-methylpyridine

• ChemBase ID: 295696
• Molecular Formular: C8H11N
• Molecular Mass: 121.17964
• Monoisotopic Mass: 121.08914936
• SMILES: CCc1cnccc1C
• Canonical SMILES: CCc1cnccc1C
• InChI: InChI=1S/C8H11N/c1-3-8-6-9-5-4-7(8)2/h4-6H,3H2,1-2H3
• InChIKey: JDQNYWYMNFRKNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-4-methylpyridine
• IUPAC Traditional name: pyridine, 3-ethyl-4-methyl-
• Synonyms: 3-Ethyl-4-picoline; 3-Ethyl-4-methylpyridine; 3-乙基-4-甲基吡啶

Database IDs

• CAS Number: 529-21-5
• EC Number: 208-453-8
• MDL Number: MFCD00014638
• PubChem SID: 180681227
• PubChem CID: 68254

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5888964
• LogD (pH = 7.4): 2.1983845
• Log P: 2.2269847
• Molar Refractivity: 38.5845 cm^3
• Polarizability: 14.819831 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 195-196°C

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 95%