6-tert-butylquinoline

• ChemBase ID: 244709
• Molecular Formular: C13H15N
• Molecular Mass: 185.2649
• Monoisotopic Mass: 185.12044949
• SMILES: c1(cc2c(nccc2)cc1)C(C)(C)C
• Canonical SMILES: CC(c1ccc2c(c1)cccn2)(C)C
• InChI: InChI=1S/C13H15N/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12/h4-9H,1-3H3
• InChIKey: JHAWWJQGHKGXHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-tert-butylquinoline
• IUPAC Traditional name: 6-tert-butylquinoline
• Synonyms: 6-tert-butylquinoline

Database IDs

• MDL Number: MFCD02683023
• PubChem SID: 164300619
• PubChem CID: 109638

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6237712
• LogD (pH = 7.4): 3.675255
• Log P: 3.6759567
• Molar Refractivity: 58.6452 cm^3
• Polarizability: 24.37598 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.855

Product Information

• Purity: 95%