5,7-dichloroquinolin-4-amine

• ChemBase ID: 805173
• Molecular Formular: C9H6Cl2N2
• Molecular Mass: 213.06334
• Monoisotopic Mass: 211.99080356
• SMILES: c1(cc2c(c(c1)Cl)c(ccn2)N)Cl
• Canonical SMILES: Clc1cc(Cl)c2c(c1)nccc2N
• InChI: InChI=1S/C9H6Cl2N2/c10-5-3-6(11)9-7(12)1-2-13-8(9)4-5/h1-4H,(H2,12,13)
• InChIKey: RBNQZFHCJNQMDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dichloroquinolin-4-amine
• IUPAC Traditional name: 5,7-dichloroquinolin-4-amine
• Synonyms: 4-AMINO-5,7-DICHLOROQUINOLINE

Database IDs

• CAS Number: 948292-59-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.462726
• LogD (pH = 7.4): 2.4149382
• Log P: 2.510064
• Molar Refractivity: 54.2893 cm^3
• Polarizability: 21.820293 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%