5,8-dimethylquinolin-4-amine

• ChemBase ID: 805176
• Molecular Formular: C11H12N2
• Molecular Mass: 172.22638
• Monoisotopic Mass: 172.10004839
• SMILES: c1c(c2c(c(c1)C)c(ccn2)N)C
• Canonical SMILES: Cc1ccc(c2c1c(N)ccn2)C
• InChI: InChI=1S/C11H12N2/c1-7-3-4-8(2)11-10(7)9(12)5-6-13-11/h3-6H,1-2H3,(H2,12,13)
• InChIKey: UMDZTIYWZSHDGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,8-dimethylquinolin-4-amine
• IUPAC Traditional name: 5,8-dimethylquinolin-4-amine
• Synonyms: 4-AMINO-5,8-DIMETHYLQUINOLINE

Database IDs

• CAS Number: 948292-74-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.99246967
• LogD (pH = 7.4): 1.2771854
• Log P: 2.3288174
• Molar Refractivity: 54.7621 cm^3
• Polarizability: 21.685894 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%