7,8-dichloroquinolin-4-amine

• ChemBase ID: 805187
• Molecular Formular: C9H6Cl2N2
• Molecular Mass: 213.06334
• Monoisotopic Mass: 211.99080356
• SMILES: c1(c(c2c(cc1)c(ccn2)N)Cl)Cl
• Canonical SMILES: Clc1ccc2c(c1Cl)nccc2N
• InChI: InChI=1S/C9H6Cl2N2/c10-6-2-1-5-7(12)3-4-13-9(5)8(6)11/h1-4H,(H2,12,13)
• InChIKey: LTNLLDGKTSLFRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,8-dichloroquinolin-4-amine
• IUPAC Traditional name: 7,8-dichloroquinolin-4-amine
• Synonyms: 4-AMINO-7,8-DICHLOROQUINOLINE

Database IDs

• CAS Number: 948293-25-2

CALCULATED PROPERTIES

• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9409096
• LogD (pH = 7.4): 2.493416
• Log P: 2.510064
• Molar Refractivity: 54.2893 cm^3
• Polarizability: 21.859198 Å^3

PROPERTIES

Product Information

• Purity: 98%