7-chloroquinolin-8-amine

• ChemBase ID: 287006
• Molecular Formular: C9H7ClN2
• Molecular Mass: 178.61828
• Monoisotopic Mass: 178.02977591
• SMILES: Nc1c(Cl)ccc2c1nccc2
• Canonical SMILES: Clc1ccc2c(c1N)nccc2
• InChI: InChI=1S/C9H7ClN2/c10-7-4-3-6-2-1-5-12-9(6)8(7)11/h1-5H,11H2
• InChIKey: KXIVDGBOGABQHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloroquinolin-8-amine
• IUPAC Traditional name: 7-chloroquinolin-8-amine
• Synonyms: 7-Chloroquinolin-8-amine

Database IDs

• CAS Number: 6338-98-3
• PubChem SID: 180672537
• PubChem CID: 224784

CALCULATED PROPERTIES

• Acid pKa: 16.864248
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9042385
• LogD (pH = 7.4): 1.9059967
• Log P: 1.9060192
• Molar Refractivity: 49.4845 cm^3
• Polarizability: 19.961452 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%