3,8-dimethylquinolin-2-amine

• ChemBase ID: 816069
• Molecular Formular: C11H12N2
• Molecular Mass: 172.22638
• Monoisotopic Mass: 172.10004839
• SMILES: c1c(c2c(cc1)cc(c(n2)N)C)C
• Canonical SMILES: Nc1nc2c(cc1C)cccc2C
• InChI: InChI=1S/C11H12N2/c1-7-4-3-5-9-6-8(2)11(12)13-10(7)9/h3-6H,1-2H3,(H2,12,13)
• InChIKey: VSKUQGPRXLNSBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,8-dimethylquinolin-2-amine
• IUPAC Traditional name: 3,8-dimethylquinolin-2-amine
• Synonyms: 2-AMINO-3,8-DIMETHYLQUINOLINE

Database IDs

• CAS Number: 137110-41-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8927476
• LogD (pH = 7.4): 2.8655403
• Log P: 2.9232748
• Molar Refractivity: 55.0756 cm^3
• Polarizability: 21.687342 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%