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

• ChemBase ID: 813598
• Molecular Formular: C11H11ClN2
• Molecular Mass: 206.67144
• Monoisotopic Mass: 206.06107604
• SMILES: c1(c(c2c(cc1)c(cc(n2)C)N)C)Cl
• Canonical SMILES: Cc1cc(N)c2c(n1)c(C)c(cc2)Cl
• InChI: InChI=1S/C11H11ClN2/c1-6-5-10(13)8-3-4-9(12)7(2)11(8)14-6/h3-5H,1-2H3,(H2,13,14)
• InChIKey: ZACVKCIJELDDTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-2,8-dimethylquinolin-4-amine
• IUPAC Traditional name: 7-chloro-2,8-dimethylquinolin-4-amine
• Synonyms: 4-AMINO-7-CHLORO-2,8-DIMETHYLQUINOLINE

Database IDs

• CAS Number: 948293-37-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.806732
• LogD (pH = 7.4): 1.8026143
• Log P: 2.5508108
• Molar Refractivity: 59.1172 cm^3
• Polarizability: 23.479525 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%