6-chloroquinolin-4-amine hydrochloride

• ChemBase ID: 807598
• Molecular Formular: C9H8Cl2N2
• Molecular Mass: 215.07922
• Monoisotopic Mass: 214.00645363
• SMILES: Cl.c1cc2c(cc1Cl)c(ccn2)N
• Canonical SMILES: Clc1ccc2c(c1)c(N)ccn2.Cl
• InChI: InChI=1S/C9H7ClN2.ClH/c10-6-1-2-9-7(5-6)8(11)3-4-12-9;/h1-5H,(H2,11,12);1H
• InChIKey: YHUZEMMPXKBFRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloroquinolin-4-amine hydrochloride
• IUPAC Traditional name: 6-chloroquinolin-4-amine hydrochloride
• Synonyms: 4-AMINO-6-CHLOROQUINOLINE HYDROCHLORIDE

Database IDs

• CAS Number: 114306-29-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6753147
• LogD (pH = 7.4): 1.6461092
• Log P: 1.9060192
• Molar Refractivity: 49.4845 cm^3
• Polarizability: 19.942875 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%