2,4-dimethylquinoline

• ChemBase ID: 796676
• Molecular Formular: C11H11N
• Molecular Mass: 157.21174
• Monoisotopic Mass: 157.08914936
• SMILES: c1cc2c(cc1)c(cc(n2)C)C
• Canonical SMILES: Cc1cc(C)c2c(n1)cccc2
• InChI: InChI=1S/C11H11N/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h3-7H,1-2H3
• InChIKey: ZTNANFDSJRRZRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethylquinoline
• IUPAC Traditional name: 2,4-dimethylquinoline
• Synonyms: 2,4-DiMethylquinoline

Database IDs

• CAS Number: 1198-37-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.217294
• LogD (pH = 7.4): 2.761022
• Log P: 2.775692
• Molar Refractivity: 49.612 cm^3
• Polarizability: 20.600996 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%