6,8-dichloroquinolin-4-amine

• ChemBase ID: 806367
• Molecular Formular: C9H6Cl2N2
• Molecular Mass: 213.06334
• Monoisotopic Mass: 211.99080356
• SMILES: c1c(c2c(cc1Cl)c(ccn2)N)Cl
• Canonical SMILES: Clc1cc(Cl)c2c(c1)c(N)ccn2
• InChI: InChI=1S/C9H6Cl2N2/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5/h1-4H,(H2,12,13)
• InChIKey: LWGSDQPVVLEBKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-dichloroquinolin-4-amine
• IUPAC Traditional name: 6,8-dichloroquinolin-4-amine
• Synonyms: 4-AMINO-6,8-DICHLOROQUINOLINE

Database IDs

• CAS Number: 929339-40-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0928884
• LogD (pH = 7.4): 2.5006218
• Log P: 2.510064
• Molar Refractivity: 54.2893 cm^3
• Polarizability: 21.827913 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%