6,8-dichloro-2-methylquinolin-4-amine

• ChemBase ID: 806770
• Molecular Formular: C10H8Cl2N2
• Molecular Mass: 227.08992
• Monoisotopic Mass: 226.00645363
• SMILES: c1c(c2c(cc1Cl)c(cc(n2)C)N)Cl
• Canonical SMILES: Clc1cc(Cl)c2c(c1)c(N)cc(n2)C
• InChI: InChI=1S/C10H8Cl2N2/c1-5-2-9(13)7-3-6(11)4-8(12)10(7)14-5/h2-4H,1H3,(H2,13,14)
• InChIKey: XEUOBWNEEOZXBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-dichloro-2-methylquinolin-4-amine
• IUPAC Traditional name: 6,8-dichloro-2-methylquinolin-4-amine
• Synonyms: 4-AMINO-6,8-DICHLORO-2-METHYLQUINOLINE

Database IDs

• CAS Number: 917562-01-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7010504
• LogD (pH = 7.4): 2.5959258
• Log P: 2.641434
• Molar Refractivity: 58.8808 cm^3
• Polarizability: 23.589819 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%