2-(2-methylpropyl)pyridine

• ChemBase ID: 295812
• Molecular Formular: C9H13N
• Molecular Mass: 135.20622
• Monoisotopic Mass: 135.10479942
• SMILES: CC(C)Cc1ccccn1
• Canonical SMILES: CC(Cc1ccccn1)C
• InChI: InChI=1S/C9H13N/c1-8(2)7-9-5-3-4-6-10-9/h3-6,8H,7H2,1-2H3
• InChIKey: BBVSPSDWPYWMOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylpropyl)pyridine
• IUPAC Traditional name: 2-(2-methylpropyl)pyridine
• Synonyms: 2-(2-Methylpropyl)pyridine; 2-Isobutylpyridine; 2-异丁基吡啶

Database IDs

• CAS Number: 6304-24-1
• EC Number: 228-606-2
• MDL Number: MFCD02262142
• PubChem SID: 180681343
• PubChem CID: 61385

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0028749
• LogD (pH = 7.4): 2.3130171
• Log P: 2.3190672
• Molar Refractivity: 42.2691 cm^3
• Polarizability: 16.748661 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.899

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: 99%