7,8-dimethylquinolin-4-amine

• ChemBase ID: 309693
• Molecular Formular: C11H12N2
• Molecular Mass: 172.22638
• Monoisotopic Mass: 172.10004839
• SMILES: c12c(ccc(c1C)C)c(N)ccn2
• Canonical SMILES: Cc1ccc2c(c1C)nccc2N
• InChI: InChI=1S/C11H12N2/c1-7-3-4-9-10(12)5-6-13-11(9)8(7)2/h3-6H,1-2H3,(H2,12,13)
• InChIKey: BWRQKOAAHRMZIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,8-dimethylquinolin-4-amine
• IUPAC Traditional name: 7,8-dimethylquinolin-4-amine
• Synonyms: 4-AMINO-7,8-DIMETHYLQUINOLINE; 7,8-dimethyl-4-quinolinamine

Database IDs

• CAS Number: 948293-29-6
• MDL Number: MFCD09787719

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9930407
• LogD (pH = 7.4): 1.298075
• Log P: 2.3288174
• Molar Refractivity: 54.7621 cm^3
• Polarizability: 21.685446 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%