4-chloro-2,6,8-trimethylquinoline

• ChemBase ID: 812590
• Molecular Formular: C12H12ClN
• Molecular Mass: 205.68338
• Monoisotopic Mass: 205.06582707
• SMILES: c1c(c2c(cc1C)c(cc(n2)C)Cl)C
• Canonical SMILES: Cc1cc(C)c2c(c1)c(Cl)cc(n2)C
• InChI: InChI=1S/C12H12ClN/c1-7-4-8(2)12-10(5-7)11(13)6-9(3)14-12/h4-6H,1-3H3
• InChIKey: FGGSFRDVXDCVEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2,6,8-trimethylquinoline
• IUPAC Traditional name: 4-chloro-2,6,8-trimethylquinoline
• Synonyms: 4-CHLORO-2,6,8-TRIMETHYLQUINOLINE

Database IDs

• CAS Number: 87602-66-2

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8726282
• LogD (pH = 7.4): 3.8928933
• Log P: 3.8931582
• Molar Refractivity: 59.458 cm^3
• Polarizability: 24.134174 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%