6,8-dimethylquinolin-4-amine

• ChemBase ID: 123733
• Molecular Formular: C11H12N2
• Molecular Mass: 172.22638
• Monoisotopic Mass: 172.10004839
• SMILES: c12c(c(cc(c2)C)C)nccc1N
• Canonical SMILES: Cc1cc(C)c2c(c1)c(N)ccn2
• InChI: InChI=1S/C11H12N2/c1-7-5-8(2)11-9(6-7)10(12)3-4-13-11/h3-6H,1-2H3,(H2,12,13)
• InChIKey: MWEAEUSVMYYGPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-dimethylquinolin-4-amine
• IUPAC Traditional name: 6,8-dimethylquinolin-4-amine
• Synonyms: 6,8-dimethylquinolin-4-amine; 6,8-dimethyl-4-quinolinamine; 4-AMINO-6,8-DIMETHYLQUINOLINE

Database IDs

• CAS Number: 929339-38-8
• MDL Number: MFCD08754057
• PubChem SID: 162218086
• PubChem CID: 17039855

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.99768096
• LogD (pH = 7.4): 1.4341056
• Log P: 2.3288174
• Molar Refractivity: 54.7621 cm^3
• Polarizability: 21.685753 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%