5,8-dichloro-2-methylquinolin-4-amine

• ChemBase ID: 806773
• Molecular Formular: C10H8Cl2N2
• Molecular Mass: 227.08992
• Monoisotopic Mass: 226.00645363
• SMILES: c1c(c2c(c(c1)Cl)c(cc(n2)C)N)Cl
• Canonical SMILES: Cc1cc(N)c2c(n1)c(Cl)ccc2Cl
• InChI: InChI=1S/C10H8Cl2N2/c1-5-4-8(13)9-6(11)2-3-7(12)10(9)14-5/h2-4H,1H3,(H2,13,14)
• InChIKey: LYJNAWSOSQSLIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,8-dichloro-2-methylquinolin-4-amine
• IUPAC Traditional name: 5,8-dichloro-2-methylquinolin-4-amine
• Synonyms: 4-AMINO-5,8-DICHLORO-2-METHYLQUINOLINE

Database IDs

• CAS Number: 917562-04-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4994973
• LogD (pH = 7.4): 2.5612745
• Log P: 2.641434
• Molar Refractivity: 58.8808 cm^3
• Polarizability: 23.598349 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%