8-chloro-2,6-dimethylquinolin-4-amine

• ChemBase ID: 805192
• Molecular Formular: C11H11ClN2
• Molecular Mass: 206.67144
• Monoisotopic Mass: 206.06107604
• SMILES: c1c(c2c(cc1C)c(cc(n2)C)N)Cl
• Canonical SMILES: Cc1cc(Cl)c2c(c1)c(N)cc(n2)C
• InChI: InChI=1S/C11H11ClN2/c1-6-3-8-10(13)5-7(2)14-11(8)9(12)4-6/h3-5H,1-2H3,(H2,13,14)
• InChIKey: AYANOFUQUNPWCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-2,6-dimethylquinolin-4-amine
• IUPAC Traditional name: 8-chloro-2,6-dimethylquinolin-4-amine
• Synonyms: 4-AMINO-8-CHLORO-2,6-DIMETHYLQUINOLINE

Database IDs

• CAS Number: 948293-53-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.96298766
• LogD (pH = 7.4): 2.2173052
• Log P: 2.5508108
• Molar Refractivity: 59.1172 cm^3
• Polarizability: 23.499834 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%