5-chloro-8-methylquinolin-4-amine

• ChemBase ID: 805178
• Molecular Formular: C10H9ClN2
• Molecular Mass: 192.64486
• Monoisotopic Mass: 192.04542598
• SMILES: c1c(c2c(c(c1)Cl)c(ccn2)N)C
• Canonical SMILES: Cc1ccc(c2c1nccc2N)Cl
• InChI: InChI=1S/C10H9ClN2/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9/h2-5H,1H3,(H2,12,13)
• InChIKey: VOCPHKPDQGBTJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-8-methylquinolin-4-amine
• IUPAC Traditional name: 5-chloro-8-methylquinolin-4-amine
• Synonyms: 4-AMINO-5-CHLORO-8-METHYLQUINOLINE

Database IDs

• CAS Number: 948292-84-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1459612
• LogD (pH = 7.4): 2.0443585
• Log P: 2.4194405
• Molar Refractivity: 54.5257 cm^3
• Polarizability: 21.72147 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%