6,7-dichloroquinolin-4-amine

• ChemBase ID: 806369
• Molecular Formular: C9H6Cl2N2
• Molecular Mass: 213.06334
• Monoisotopic Mass: 211.99080356
• SMILES: c1(cc2c(cc1Cl)c(ccn2)N)Cl
• Canonical SMILES: Clc1cc2c(N)ccnc2cc1Cl
• InChI: InChI=1S/C9H6Cl2N2/c10-6-3-5-8(12)1-2-13-9(5)4-7(6)11/h1-4H,(H2,12,13)
• InChIKey: ZVBRYIQQZDIPRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dichloroquinolin-4-amine
• IUPAC Traditional name: 6,7-dichloroquinolin-4-amine
• Synonyms: 4-AMINO-6,7-DICHLOROQUINOLINE

Database IDs

• CAS Number: 948292-94-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5215443
• LogD (pH = 7.4): 2.4356236
• Log P: 2.510064
• Molar Refractivity: 54.2893 cm^3
• Polarizability: 21.835072 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%