2-ethyl-6-(propan-2-yl)pyridine

• ChemBase ID: 295600
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: CCc1cccc(n1)C(C)C
• Canonical SMILES: CCc1cccc(n1)C(C)C
• InChI: InChI=1S/C10H15N/c1-4-9-6-5-7-10(11-9)8(2)3/h5-8H,4H2,1-3H3
• InChIKey: FBJCTMMJWADBLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-6-(propan-2-yl)pyridine
• IUPAC Traditional name: 2-ethyl-6-isopropylpyridine
• Synonyms: 2-Ethyl-6-isopropylpyridine; 2-乙基-6-异丙基吡啶

Database IDs

• CAS Number: 74701-47-6
• MDL Number: MFCD00061085
• PubChem SID: 180681131
• PubChem CID: 144668

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3490143
• LogD (pH = 7.4): 2.945079
• Log P: 2.9623716
• Molar Refractivity: 46.9124 cm^3
• Polarizability: 18.514324 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• 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: 97%